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4-(Hydroxymethyl)-3-methyl-6-phenyl-2-hexenecarboxylic acid
SpectraBase Compound ID Fvbr6PdE3EZ
InChI InChI=1S/C14H18O3/c1-11(9-14(16)17)13(10-15)8-7-12-5-3-2-4-6-12/h2-6,9,13,15H,7-8,10H2,1H3,(H,16,17)/b11-9+
InChIKey PPOOZCZHBVYMHS-PKNBQFBNSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60sl0wRmAZL
Name 4-(Hydroxymethyl)-3-methyl-6-phenyl-2-hexenecarboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-11(9-14(16)17)13(10-15)8-7-12-5-3-2-4-6-12/h2-6,9,13,15H,7-8,10H2,1H3,(H,16,17)/b11-9+
InChIKey PPOOZCZHBVYMHS-PKNBQFBNSA-N
Molecular Weight 234.295 g/mol
SMILES OCC(\C(=C\C(=O)O)C)CCc1ccccc1
SPLASH splash10-001i-0090000000-d4299a57312a0dd4a85e
Source of Spectrum D8-327-127-9
Synonyms (2E)-4-(hydroxymethyl)-3-methyl-6-phenyl-2-hexenoic acid
Wiley ID 1515095