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Indomethacin methyl artifact
SpectraBase Compound ID 6ab79XjqIKa
InChI InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
InChIKey OKHORWCUMZIORR-UHFFFAOYSA-N
Mol Weight 371.82 g/mol
Molecular Formula C20H18ClNO4
Exact Mass 371.092436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 849iMBF5216
Name 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid methyl ester
CAS Registry Number 1601-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClNO4
InChI InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
InChIKey OKHORWCUMZIORR-UHFFFAOYSA-N
Molecular Weight 371.820 g/mol
SMILES C([n]1c(C)c(CC(OC)=O)c2c1ccc(c2)OC)(c1ccc(Cl)cc1)=O
SPLASH splash10-000i-1901000000-190483c082240ce0f619
Source of Spectrum BA-0-209-0
Synonyms 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester Methyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid methyl ester 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid methyl ester 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid methyl ester Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester Indomethacin, methyl ester Indomethacine, methyl ester Methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate Methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate Methyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Methyl ester of indomethacin BRN 0496619 EINECS 216-494-8
Wiley ID 54448