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2,4,7-Octatrienoic acid, 6-hydroxy-, methyl ester, (E,E)-(.+-.)-
SpectraBase Compound ID 34fdqLDPqUR
InChI InChI=1S/C9H12O3/c1-3-8(10)6-4-5-7-9(11)12-2/h3-8,10H,1H2,2H3/b6-4+,7-5+
InChIKey IIXAFUGWVYPEBN-YDFGWWAZSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTGZ73QrcRC
Name 2,4,7-Octatrienoic acid, 6-hydroxy-, methyl ester, (E,E)-(.+-.)-
CAS Registry Number 113811-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-3-8(10)6-4-5-7-9(11)12-2/h3-8,10H,1H2,2H3/b6-4+,7-5+
InChIKey IIXAFUGWVYPEBN-YDFGWWAZSA-N
Molecular Weight 168.192 g/mol
SMILES OC(C=C)\C=C\C=C\C(=O)OC
SPLASH splash10-001r-9100000000-97357a1a6b1cc1a1c208
Source of Spectrum J-53-2097-0
Synonyms Methyl (2E,4E)-6-hydroxy-2,4,7-octatrienoate Methyl 6-oxo-2,4,7-octatrienoate Methyl (2E,4E)-6-hydroxyocta-2,4,7-trienoate Methyl (2E,4E)-6-oxidanylocta-2,4,7-trienoate
Wiley ID 1164372