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1,5-Heptadiene-3,4-diol
SpectraBase Compound ID KYtrbn2JlnA
InChI InChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-9H,2H2,1H3/b5-3+
InChIKey ADXMFHMYYFZEGM-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 1SxL0lgYgpT
Name 1,5-Heptadiene-3,4-diol
CAS Registry Number 51945-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-9H,2H2,1H3/b5-3+
InChIKey ADXMFHMYYFZEGM-HWKANZROSA-N
Molecular Weight 128.171 g/mol
SMILES OC(C(O)C=C)\C=C\C
SPLASH splash10-00dl-9000000000-187e97814c15c1fbcb82
Source of Spectrum SD-1981-0-0
Synonyms (5E)-1,5-Heptadiene-3,4-diol (5E)-hepta-1,5-diene-3,4-diol
Wiley ID 1131250