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Vaccenic acid <(E)>, mono-TMS
SpectraBase Compound ID ErKJ4i27eYJ
InChI InChI=1S/C21H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h10-11H,5-9,12-20H2,1-4H3/b11-10+
InChIKey PHKOOHPBTBNZMG-ZHACJKMWSA-N
Mol Weight 354.7 g/mol
Molecular Formula C21H42O2Si
Exact Mass 354.295407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJUImZ2vJiK
Name 11-trans-Octadecenoic acid,trimethylsilyl ester
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 354.295407125 u
Formula C21H42O2Si
InChI InChI=1S/C21H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h10-11H,5-9,12-20H2,1-4H3/b11-10+
InChIKey PHKOOHPBTBNZMG-ZHACJKMWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 354.650 g/mol
Nominal Mass 354 u
Quality 934
Retention Index 2450
SMILES C[Si](OC(CCCCCCCCC\C=C\CCCCCC)=O)(C)C
SPLASH splash10-00vr-9712000000-80ac467caada97753569
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trimethylsilyl (11E)-octadec-11-enoate
Technique GC/MS
Wiley ID DD2024_005251