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trans-2-DODECENOIC ACID

View entire compound with spectra: 4 NMR, 2 FTIR, and 4 MS (GC)

trans-2-DODECENOIC ACID
SpectraBase Compound ID 3GVChgSWX3M
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
InChIKey PAWGRNGPMLVJQH-ZHACJKMWSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mW1QDiXQSe
Name 2-DODECENOIC ACID
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
InChIKey PAWGRNGPMLVJQH-ZHACJKMWSA-N
Molecular Weight 198.306 g/mol
Nominal Mass 198 u
Number of Peaks 118
SMILES C(CCCC)CCCC\C=C\C(O)=O
SPLASH splash10-054o-9100000000-e48fba6aeb8ca7f53d84
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX001158