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trans-2-Heptenoic acid

View entire compound with spectra: 3 NMR, 2 FTIR, and 3 MS (GC)

trans-2-Heptenoic acid
SpectraBase Compound ID HvTxUqGGU4E
InChI InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+
InChIKey YURNCBVQZBJDAJ-AATRIKPKSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NwWzjZjr2d
Name 2-HEPTENOIC 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 128.083729624 u
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+
InChIKey YURNCBVQZBJDAJ-AATRIKPKSA-N
Molecular Weight 128.171 g/mol
Nominal Mass 128 u
Number of Peaks 61
SMILES CCCC\C=C\C(O)=O
SPLASH splash10-054o-9000000000-19591c17b7f6fdc20ec7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX001153