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5-METHYL-2E-HEXENOIC-ACID
SpectraBase Compound ID ESzBHkoQWi8
InChI InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h3,5-6H,4H2,1-2H3,(H,8,9)/b5-3+
InChIKey FTHUQCQZQRXJLF-HWKANZROSA-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 DQqYSUmAr3D
Name (E)-5-methylhex-2-enoic acid
Alternate Name(s) (E)-5-methyl-2-hexenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h3,5-6H,4H2,1-2H3,(H,8,9)/b5-3+
InChIKey FTHUQCQZQRXJLF-HWKANZROSA-N
Literature Reference DOI 10.1021/ol302069h
Molecular Weight 128.171 g/mol
SMILES OC(\C=C\CC(C)C)=O
SPLASH splash10-000l-9100000000-d4a12d47f8ec57fd1edd
Source of Spectrum A1-14-4610/SMS9-1e
Wiley ID 1750596