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methyl 2-cyano-5-methyl-3,4,6-trimethoxyphenylacetate
SpectraBase Compound ID IKTqOogDXA1
InChI InChI=1S/C14H17NO5/c1-8-12(18-3)9(6-11(16)17-2)10(7-15)14(20-5)13(8)19-4/h6H2,1-5H3
InChIKey INJMVWXZVBDEMI-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrpzttxoabD
Name methyl 2-cyano-5-methyl-3,4,6-trimethoxyphenylacetate
Alternate Name(s) methyl (2-cyano-3,4,6-trimethoxy-5-methylphenyl)acetate
CAS Registry Number 114252-27-6
Comments Less than 3 mono-isotopic peaks
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Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-8-12(18-3)9(6-11(16)17-2)10(7-15)14(20-5)13(8)19-4/h6H2,1-5H3
InChIKey INJMVWXZVBDEMI-UHFFFAOYSA-N
Molecular Weight 279.292 g/mol
SMILES c1(c(c(OC)c(c(c1OC)OC)C)CC(=O)OC)C#N
SPLASH splash10-00fr-0090000000-a495a8dc45b7802926be
Source of Spectrum J-53-2849-10
Wiley ID 1282872