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[1-(4-Chlorobenzoyl)-2-methyl-5-methoxy-6-xanthen-9-yl]indol-3-yl-acetic acid
SpectraBase Compound ID Adyv2CMg6tS
InChI InChI=1S/C32H24ClNO5/c1-18-23(17-30(35)36)24-16-29(38-2)25(15-26(24)34(18)32(37)19-11-13-20(33)14-12-19)31-21-7-3-5-9-27(21)39-28-10-6-4-8-22(28)31/h3-16,31H,17H2,1-2H3,(H,35,36)
InChIKey TUYWTWODCIYAIQ-UHFFFAOYSA-N
Mol Weight 538.0 g/mol
Molecular Formula C32H24ClNO5
Exact Mass 537.134301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVevEU2tYff
Name [1-(4-Chlorobenzoyl)-2-methyl-5-methoxy-6-xanthen-9-yl]indol-3-yl-acetic acid
Alternate Name(s) 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-6-(9H-xanthen-9-yl)-1H-indol-3-yl)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H24ClNO5
InChI InChI=1S/C32H24ClNO5/c1-18-23(17-30(35)36)24-16-29(38-2)25(15-26(24)34(18)32(37)19-11-13-20(33)14-12-19)31-21-7-3-5-9-27(21)39-28-10-6-4-8-22(28)31/h3-16,31H,17H2,1-2H3,(H,35,36)
InChIKey TUYWTWODCIYAIQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19863190814
Molecular Weight 537.999 g/mol
SMILES OC(Cc1c([n](c2cc(c(cc12)OC)C1c2ccccc2Oc2ccccc12)C(c1ccc(cc1)Cl)=O)C)=O
SPLASH splash10-000i-0901060000-9caf529902673f7cab4b
Source of Spectrum APC-319-764-8
Wiley ID 1788310