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(S)-(-)-Methyl O-cinnamoylmandelate

View entire compound with spectra: 1 MS (GC)

(S)-(-)-Methyl O-cinnamoylmandelate
SpectraBase Compound ID 4mNRF5mWdmb
InChI InChI=1S/C18H16O4/c1-21-18(20)17(15-10-6-3-7-11-15)22-16(19)13-12-14-8-4-2-5-9-14/h2-13,17H,1H3/b13-12+/t17-/m0/s1
InChIKey RGKQMXJJUYRMGR-UJGDBWEASA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwUqTTTx5DK
Name (S)-(-)-Methyl O-cinnamoylmandelate
Alternate Name(s) (-)-Methyl O-cinnamoylmandelate (1S)-2-methoxy-2-oxo-1-phenylethyl (2E)-3-phenyl-2-propenoate (E)-3-phenyl-2-propenoic acid[(1S)-2-methoxy-2-oxo-1-phenylethyl]ester (E)-3-phenylacrylic acid[(1S)-2-keto-2-methoxy-1-phenyl-ethyl]ester [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl](E)-3-phenylprop-2-enoate [(1S)-2-methoxy-2-oxo-1-phenyl-ethyl](E)-3-phenylprop-2-enoate (E)-3-phenyl-2-propenoic acid [(1S)-2-methoxy-2-oxo-1-phenylethyl] ester [(1S)-2-methoxy-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate [(1S)-2-methoxy-2-oxo-1-phenyl-ethyl] (E)-3-phenylprop-2-enoate [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] (E)-3-phenylprop-2-enoate
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Formula C18H16O4
InChI InChI=1S/C18H16O4/c1-21-18(20)17(15-10-6-3-7-11-15)22-16(19)13-12-14-8-4-2-5-9-14/h2-13,17H,1H3/b13-12+/t17-/m0/s1
InChIKey RGKQMXJJUYRMGR-UJGDBWEASA-N
Molecular Weight 296.322 g/mol
SMILES [C@@](C(=O)OC)(OC(\C=C\c1ccccc1)=O)(c1ccccc1)[H]
SPLASH splash10-001i-1920000000-a4c6bf5804b885dd72cf
Source of Spectrum KC-0-1967-6
Wiley ID 784146