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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 2Df6sGzf2pi
Name trans-2-dodecenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Inlet Type Splitless
Instrument Name Agilent 5975C GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202111163
Molecular Weight 198.306 g/mol
Quality 914
SMILES OC(=O)\C=C\CCCCCCCCC
SPLASH splash10-0ac0-9200000000-dfe7f6bfb063c5272ca9
Source of Spectrum ACI-60-SM35-3 (DOI: 10.1002/anie.202111163)
Wiley ID 1891404