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Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
SpectraBase Compound ID CfCJgGFjTOo
InChI InChI=1S/C20H21NO4/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13/h5-11,22H,4,12H2,1-3H3
InChIKey JXUHSUSCLWIKEW-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoR40nfiX0A
Name Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Alternate Name(s) 3-carbethoxy-4-[(dimethylammonio)methyl]-2-phenyl-benzofuran-5-olate 4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-phenyl-5-benzofuranolate 4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-phenyl-benzofuran-5-olate 4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-olate Benzofurane-3-carboxylic acid, 5-hydroxy-4-dimethylaminomethyl-2-phenyl-, ethyl ester 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-benzofuran-3-carboxylate Ethyl 4-[(dimethylamino)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate
CAS Registry Number 95696-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13/h5-11,22H,4,12H2,1-3H3
InChIKey JXUHSUSCLWIKEW-UHFFFAOYSA-N
Molecular Weight 339.391 g/mol
SMILES Oc1c(c2c(c(oc2cc1)-c1ccccc1)C(=O)OCC)CN(C)C
SPLASH splash10-0006-9433000000-b45b166d2adb06be2777
Source of Spectrum AD-0-2532-0
Wiley ID 1421445