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(3E,5E)-2-methyl-7-oxidanyl-octa-3,5-dienoic acid
SpectraBase Compound ID DJWcdICYNdF
InChI InChI=1S/C9H14O3/c1-7(9(11)12)5-3-4-6-8(2)10/h3-8,10H,1-2H3,(H,11,12)/b5-3+,6-4+
InChIKey DVUPOJOTZSXNKQ-GGWOSOGESA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GyGSUpXQgK
Name (3E,5E)-2-methyl-7-oxidanyl-octa-3,5-dienoic acid
Alternate Name(s) (3E,5E)-7-Hydroxy-2-methyl-3,5-octadienoic acid (3E,5E)-7-hydroxy-2-methyl-octa-3,5-dienoic acid 3,5-Octadienoic acid, 7-hydroxy-2-methyl-, [R*,R*-(E,E)]-
CAS Registry Number 110678-40-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-7(9(11)12)5-3-4-6-8(2)10/h3-8,10H,1-2H3,(H,11,12)/b5-3+,6-4+
InChIKey DVUPOJOTZSXNKQ-GGWOSOGESA-N
Molecular Weight 170.208 g/mol
SMILES OC(\C=C\C=C\C(C(=O)O)C)C
SPLASH splash10-0006-9200000000-5aaa1184c10e71b6d59c
Wiley ID 1488845