MassBank Record: JP001296



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

ACCESSION: JP001296
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIISOPROPYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIISOPROPYL ESTER CH$NAME: DIISOPROPYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H18O4 CH$EXACT_MASS: 250.12051 CH$SMILES: CC(C)OC(=O)c(c1)c(ccc1)C(=O)OC(C)C CH$IUPAC: InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
AC$INSTRUMENT: HITACHI RMU-7M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-2900000000-2d21a6736a08e037d771 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 27 3.81 38 31 1 10 39 3.33 33 41 7.26 73 42 1.81 18 43 10.47 105 45 1.27 13 50 2.12 21 51 1.03 10 59 1.81 18 65 3.15 32 76 3.15 32 77 1.15 12 93 2.12 21 104 2.42 24 105 3.21 32 121 2.72 27 122 3.63 36 149 99.99 999 150 10.59 106 167 3.87 39 191 2.84 28 192 2.36 24 209 2.96 30 //