For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,1-di(trifluoromethyl)methoxycarbonylmethyl ester
SpectraBase Compound ID Bb9WOaAmZzJ
InChI InChI=1S/C24H18ClF6NO6/c1-12-16(10-19(33)37-11-20(34)38-22(23(26,27)28)24(29,30)31)17-9-15(36-2)7-8-18(17)32(12)21(35)13-3-5-14(25)6-4-13/h3-9,22H,10-11H2,1-2H3
InChIKey KLHDPFLODBRKJD-UHFFFAOYSA-N
Mol Weight 565.85 g/mol
Molecular Formula C24H18ClF6NO6
Exact Mass 565.072684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID otpWSfdIHh
Name 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,1-di(trifluoromethyl)methoxycarbonylmethyl ester
Alternate Name(s) 2-Oxo-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]ethyl[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18ClF6NO6
InChI InChI=1S/C24H18ClF6NO6/c1-12-16(10-19(33)37-11-20(34)38-22(23(26,27)28)24(29,30)31)17-9-15(36-2)7-8-18(17)32(12)21(35)13-3-5-14(25)6-4-13/h3-9,22H,10-11H2,1-2H3
InChIKey KLHDPFLODBRKJD-UHFFFAOYSA-N
Molecular Weight 565.852 g/mol
SMILES c1([n](c2c(c1CC(=O)OCC(OC(C(F)(F)F)C(F)(F)F)=O)cc(cc2)OC)C(c1ccc(cc1)Cl)=O)C
SPLASH splash10-000i-0900000000-1716c77fe7d8e30a0703
Source of Spectrum CJ-1992-0-0
Wiley ID 1407224