| SpectraBase Spectrum ID |
8QDtwmQMRrF |
| Name |
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,1-di(trifluoromethyl)methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
507.067204673 u |
| Formula |
C22H16ClF6NO4 |
| InChI |
InChI=1S/C22H16ClF6NO4/c1-11-15(10-18(31)34-20(21(24,25)26)22(27,28)29)16-9-14(33-2)7-8-17(16)30(11)19(32)12-3-5-13(23)6-4-12/h3-9,20H,10H2,1-2H3 |
| InChIKey |
OSOLVVZEGZKNTM-UHFFFAOYSA-N |
| Molecular Weight |
507.816 g/mol |
| SMILES |
C=1(N(C=2C(C1CC(OC(C(F)(F)F)C(F)(F)F)=O)=CC(=CC2)OC)C(C1=CC=C(C=C1)Cl)=O)C |
