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(2E,4Z,6R)-6-hydroxyhepta-2,4-dienoic acid (phenylmethyl) ester

View entire compound with spectra: 1 MS (GC)

(2E,4Z,6R)-6-hydroxyhepta-2,4-dienoic acid (phenylmethyl) ester
SpectraBase Compound ID I4R034T4H1f
InChI InChI=1S/C14H16O3/c1-12(15)7-5-6-10-14(16)17-11-13-8-3-2-4-9-13/h2-10,12,15H,11H2,1H3/b7-5-,10-6+/t12-/m1/s1
InChIKey HAQAUHVPOXPEJR-NVRARFSRSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeFOfHao3sb
Name (2E,4Z,6R)-6-hydroxyhepta-2,4-dienoic acid (phenylmethyl) ester
Alternate Name(s) (2E,4Z,6R)-6-hydroxyhepta-2,4-dienoic acid benzyl ester (phenylmethyl) (2E,4Z,6R)-6-oxidanylhepta-2,4-dienoate benzyl (2E,4Z,6R)-6-hydroxyhepta-2,4-dienoate
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-12(15)7-5-6-10-14(16)17-11-13-8-3-2-4-9-13/h2-10,12,15H,11H2,1H3/b7-5-,10-6+/t12-/m1/s1
InChIKey HAQAUHVPOXPEJR-NVRARFSRSA-N
Molecular Weight 232.279 g/mol
SMILES O[C@@](\C=C/C=C/C(=O)OCc1ccccc1)(C)[H]
SPLASH splash10-0006-9060000000-a280ec1afd6febaab47b
Source of Spectrum F-70-475-15
Wiley ID 1596059