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3-(2,4-dimethoxybenzoyl)acrylic acid
SpectraBase Compound ID 2x9fL8JzPEx
InChI InChI=1S/C12H12O5/c1-16-8-3-4-9(11(7-8)17-2)10(13)5-6-12(14)15/h3-7H,1-2H3,(H,14,15)/b6-5+
InChIKey CGJMPMCLHKGKJV-AATRIKPKSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0jh4CSKtoh
Name 3-(2,4-dimethoxybenzoyl)acrylic acid
Alternate Name(s) (E)-4-(2,4-dimethoxyphenyl)-4-keto-but-2-enoic acid (E)-4-(2,4-dimethoxyphenyl)-4-oxidanylidene-but-2-enoic acid (E)-4-(2,4-dimethoxyphenyl)-4-oxo-2-butenoic acid (E)-4-(2,4-dimethoxyphenyl)-4-oxo-but-2-enoic acid
CAS Registry Number 78149-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-16-8-3-4-9(11(7-8)17-2)10(13)5-6-12(14)15/h3-7H,1-2H3,(H,14,15)/b6-5+
InChIKey CGJMPMCLHKGKJV-AATRIKPKSA-N
Molecular Weight 236.223 g/mol
SMILES OC(\C=C\C(c1c(cc(cc1)OC)OC)=O)=O
SPLASH splash10-00ku-0940000000-c1cfd99c367203daf907
Source of Spectrum J-46-3916-0
Wiley ID 1237806