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(E)-Hept-3-enoic acid
SpectraBase Compound ID BiAsOSkmDYu
InChI InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+
InChIKey BCYXFRMDZWKZSF-SNAWJCMRSA-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 GZtSRHfh4Ay
Name (E)-Hept-3-enoic acid
Alternate Name(s) (3E)-3-Heptenoic acid (E)-3-heptenoic acid 3-Heptenoic acid
CAS Registry Number 29901-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+
InChIKey BCYXFRMDZWKZSF-SNAWJCMRSA-N
Molecular Weight 128.171 g/mol
SMILES OC(=O)C\C=C\CCC
SPLASH splash10-014l-9100000000-308cd67bdabce52f71a6
Source of Spectrum KC-0-3532-0
Wiley ID 826819