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3,4,5-Trimethoxybenzoic acid cyano(3,4,5-trimethoxyphenyl)methyl ester
SpectraBase Compound ID 1WJD45QcfIA
InChI InChI=1S/C21H23NO8/c1-24-14-7-12(8-15(25-2)19(14)28-5)18(11-22)30-21(23)13-9-16(26-3)20(29-6)17(10-13)27-4/h7-10,18H,1-6H3
InChIKey AQDYGKZNVPXAPH-UHFFFAOYSA-N
Mol Weight 417.41 g/mol
Molecular Formula C21H23NO8
Exact Mass 417.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OrAlOc2qf0
Name 3,4,5-Trimethoxybenzoic acid cyano(3,4,5-trimethoxyphenyl)methyl ester
Alternate Name(s) cyano(3,4,5-trimethoxyphenyl)methyl 3,4,5-trimethoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO8
InChI InChI=1S/C21H23NO8/c1-24-14-7-12(8-15(25-2)19(14)28-5)18(11-22)30-21(23)13-9-16(26-3)20(29-6)17(10-13)27-4/h7-10,18H,1-6H3
InChIKey AQDYGKZNVPXAPH-UHFFFAOYSA-N
Molecular Weight 417.414 g/mol
SMILES C(c1cc(OC)c(c(c1)OC)OC)(OC(c1cc(OC)c(c(c1)OC)OC)C#N)=O
SPLASH splash10-0a4l-0790100000-7faaa91d58d06d437677
Source of Spectrum F-62-8718-2
Wiley ID 1640563