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3-HYDROXYPHENYL_SINAPATE
SpectraBase Compound ID 4OMq2uZMJeB
InChI InChI=1S/C17H16O6/c1-21-14-8-11(9-15(22-2)17(14)20)6-7-16(19)23-13-5-3-4-12(18)10-13/h3-10,18,20H,1-2H3/b7-6+
InChIKey WFGSIANPCBELDA-VOTSOKGWSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 661I5qpLOJ7
Name 3"-H6ydroxyphenyl 3-[3',5'-dimethoxy-4'-hydroxyphenyl]-2-propenoate
Alternate Name(s) 3'-Hydroxyphenyl 3,5-dimethoxy-4-hydroxycinnamate (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid (3-hydroxyphenyl) ester (3-hydroxyphenyl) (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate (3-hydroxyphenyl) (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate (3-hydroxyphenyl) (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-21-14-8-11(9-15(22-2)17(14)20)6-7-16(19)23-13-5-3-4-12(18)10-13/h3-10,18,20H,1-2H3/b7-6+
InChIKey WFGSIANPCBELDA-VOTSOKGWSA-N
Molecular Weight 316.309 g/mol
SMILES Oc1cc(OC(\C=C\c2cc(c(c(c2)OC)O)OC)=O)ccc1
SPLASH splash10-066r-0079000000-ea6d963bb82dec46adb4
Source of Spectrum G4-70-1666-3
Wiley ID 1694803