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1H-indole-3-acetic acid, 1-(4-chlorobenzoyl)-2-ethyl-5-methoxy-
SpectraBase Compound ID IRfu0XsstCY
InChI InChI=1S/C20H18ClNO4/c1-3-17-16(11-19(23)24)15-10-14(26-2)8-9-18(15)22(17)20(25)12-4-6-13(21)7-5-12/h4-10H,3,11H2,1-2H3,(H,23,24)
InChIKey GGNDJBOIHAZWMQ-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 41lz3RaMW29
Name 1H-indole-3-acetic acid, 1-(4-chlorobenzoyl)-2-ethyl-5-methoxy-
Alternate Name(s) Indomethacin methyl artifact [1-(4-chlorobenzoyl)-2-ethyl-5-methoxy-1H-indol-3-yl]acetic acid 2-[1-[(4-chlorophenyl)-oxomethyl]-2-ethyl-5-methoxy-3-indolyl]acetic acid 2-[1-(4-chlorobenzoyl)-2-ethyl-5-methoxyindol-3-yl]acetic acid 2-[1-(4-chlorophenyl)carbonyl-2-ethyl-5-methoxy-indol-3-yl]ethanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClNO4
InChI InChI=1S/C20H18ClNO4/c1-3-17-16(11-19(23)24)15-10-14(26-2)8-9-18(15)22(17)20(25)12-4-6-13(21)7-5-12/h4-10H,3,11H2,1-2H3,(H,23,24)
InChIKey GGNDJBOIHAZWMQ-UHFFFAOYSA-N
Molecular Weight 371.820 g/mol
SMILES OC(=O)Cc1c2cc(ccc2[n](C(c2ccc(cc2)Cl)=O)c1CC)OC
SPLASH splash10-000i-0902000000-ca74bfa49bbdd2817a05
Wiley ID 1507792