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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001713

DECANEDIOIC ACID BIS(2-ETHYLHEXYL) ESTER; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001713
RECORD_TITLE: DECANEDIOIC 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$NAME: DECANEDIOIC ACID BIS(2-ETHYLHEXYL) ESTER
CH$NAME: DI(2-ETHYLHEXYL) SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H50O4
CH$EXACT_MASS: 426.37091
CH$SMILES: CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
CH$LINK: INCHIKEY VJHINFRRDQUWOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025055

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$SPLASH: splash10-004r-2912700000-99b90d945c2c67f00704
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  65 0.71 7
  66 0.76 8
  67 5.56 56
  69 4.28 43
  70 7.96 80
  71 14.53 145
  79 1.26 13
  83 3.78 38
  111 2.24 22
  112 8.65 87
  113 17.39 174
  185 99.99 999
  186 8.57 86
  203 11.74 117
  223 2.3 23
  225 2.56 26
  297 12.73 127
  315 35.32 353
  316 5.56 56
  427 82.9 829
  428 29.95 300
//

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