MassBank Record: JP001702



 1,2-BENZENEDICARBOXYLIC ACID BIS(2-ETHYLHEXYL) ESTER; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001702
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BIS(2-ETHYLHEXYL) ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID BIS(2-ETHYLHEXYL) ESTER CH$NAME: DI(2-ETHYLHEXYL) PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H38O4 CH$EXACT_MASS: 390.27701 CH$SMILES: CCCCC(CC)COC(=O)c(c1)c(ccc1)C(=O)OCC(CC)CCCC CH$IUPAC: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-01ow-0912000000-bfc2f5c113be09d025a4 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 69 0.51 5 70 3.56 36 71 11 110 83 1.72 17 85 0.53 5 112 2.34 23 113 58.35 584 114 5.33 53 149 99.99 999 150 8.67 87 151 1.5 15 167 25.44 254 168 1.53 15 189 2.67 27 191 0.63 6 207 1.12 11 261 6.49 65 279 23.35 234 280 4.03 40 391 43.96 440 392 11.56 116 393 1.58 16 //