MassBank Record: JP003553



 N,N'-HEXAMETHYLENE BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMIDE); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003553
RECORD_TITLE: N,N'-HEXAMETHYLENE BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMIDE); EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N,N'-HEXAMETHYLENE BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMIDE) CH$COMPOUND_CLASS: N/A CH$FORMULA: C40H64N2O4 CH$EXACT_MASS: 636.48661 CH$SMILES: C(CCCCNC(CCc(c2)cc(C(C)(C)C)c(O)c(C(C)(C)C)2)=O)CNC(CCc(c1)cc(C(C)(C)C)c(O)c(C(C)(C)C)1)=O CH$IUPAC: InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44) CH$LINK: INCHIKEY OKOBUGCCXMIKDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5044233
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0pbi-9864023000-3ed63690c2ee4e63e848 PK$NUM_PEAK: 115 PK$PEAK: m/z int. rel.int. 29 10.5 105 30 19.27 193 41 22.64 226 43 12.29 123 44 6.37 64 55 21.06 211 56 6.85 69 57 99.99 999 58 6.24 62 69 5.93 59 72 6.79 68 81 3.16 32 83 5.16 52 86 17.49 175 87 2.58 26 91 3.43 34 97 3.28 33 98 28.65 287 99 2.92 29 100 52.73 527 101 5.99 60 105 4.67 47 107 7.14 71 115 3.38 34 117 26.15 262 119 5.36 54 121 4.9 49 128 8.38 84 129 5.04 50 131 3.24 32 133 4.74 47 141 2.21 22 142 3.45 35 143 14.02 140 144 4.64 46 145 4.92 49 147 19.66 197 148 2.39 24 149 3.04 30 157 3.79 38 158 3.07 31 159 12.01 120 160 2.6 26 161 11.39 114 162 2.53 25 163 12.15 122 173 3.68 37 175 4.59 46 176 2.65 27 177 3.26 33 181 3.55 36 185 3.14 31 187 8.11 81 188 3.35 34 189 5.52 55 201 5.37 54 203 28.58 286 204 6 60 205 2.52 25 206 2.27 23 216 2.21 22 217 20.37 204 218 4.72 47 219 39.15 392 220 8.11 81 232 10.51 105 233 6.6 66 234 2.73 27 245 2.93 29 248 2.92 29 259 31.48 315 260 10.49 105 262 4.77 48 263 2.41 24 265 2.52 25 275 4.26 43 276 4.28 43 277 2 20 288 2.48 25 290 5.16 52 291 4.94 49 302 2.16 22 303 3.06 31 304 3.43 34 305 11.93 119 306 2.98 30 319 5.01 50 320 3.38 34 321 19.47 195 322 4.27 43 346 3.75 38 347 7.63 76 348 2.19 22 358 2.25 23 359 3.07 31 360 2.34 23 361 7.44 74 362 3.73 37 375 4.02 40 376 17.13 171 377 15.65 157 378 3.91 39 418 4.97 50 474 2.75 28 523 2.06 21 524 6.86 69 525 2.48 25 529 26.76 268 565 2.25 23 580 21.96 220 581 7.51 75 621 2.14 21 636 72.41 724 637 30.34 303 638 7.03 70 //

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