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4-Hexenoic acid, 5-[4-(1-cyano-1-methylethyl)-2,6-dimethoxyphenyl]-3-oxo-, methyl ester, (Z)-
SpectraBase Compound ID CHmR1V7JHnY
InChI InChI=1S/C19H23NO5/c1-12(7-14(21)10-17(22)25-6)18-15(23-4)8-13(9-16(18)24-5)19(2,3)11-20/h7-9H,10H2,1-6H3/b12-7-
InChIKey NYSCPYPOXXPESA-GHXNOFRVSA-N
Mol Weight 345.4 g/mol
Molecular Formula C19H23NO5
Exact Mass 345.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2I0uOctdfy
Name 4-Hexenoic acid, 5-[4-(1-cyano-1-methylethyl)-2,6-dimethoxyphenyl]-3-oxo-, methyl ester, (Z)-
Alternate Name(s) Methyl (4Z)-5-[4-(1-cyano-1-methylethyl)-2,6-dimethoxyphenyl]-3-oxo-4-hexenoate Methyl 5-(4-1'-cyano-1'-methylethyl-2,6-dimethoxyphenyl)-5-hydroxy-3-oxohexanoate
CAS Registry Number 65048-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO5
InChI InChI=1S/C19H23NO5/c1-12(7-14(21)10-17(22)25-6)18-15(23-4)8-13(9-16(18)24-5)19(2,3)11-20/h7-9H,10H2,1-6H3/b12-7-
InChIKey NYSCPYPOXXPESA-GHXNOFRVSA-N
Molecular Weight 345.395 g/mol
SMILES c1(\C(=C/C(CC(=O)OC)=O)C)c(cc(cc1OC)C(C#N)(C)C)OC
SPLASH splash10-0f7k-1590000000-c7a8ce8a87bfe3812c7d
Source of Spectrum I-55-789-0
Wiley ID 1338672