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4-Heptenoic acid, 6-hydroxy-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Heptenoic acid, 6-hydroxy-
SpectraBase Compound ID CZcOV8BirmM
InChI InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10)/b4-2+
InChIKey VPUPJGTWCSYLOM-DUXPYHPUSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlmdCjWeCno
Name 4-Heptenoic acid, 6-hydroxy-
CAS Registry Number 105728-84-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10)/b4-2+
InChIKey VPUPJGTWCSYLOM-DUXPYHPUSA-N
Molecular Weight 144.170 g/mol
SMILES OC(CC\C=C\C(O)C)=O
SPLASH splash10-004i-0900000000-3f58825f241571ffe9a9
Source of Spectrum C-109-677-3
Synonyms 6-Hydroxy-4-heptenoic acid (E)-6-hydroxy-4-heptenoic acid (E)-6-oxidanylhept-4-enoic acid
Wiley ID 1142441