| SpectraBase Spectrum ID |
8QGIA2tYD0c |
| Name |
3-Bromo-5-(4-trifluoromethylbenzyl)-5-hydroxy-1-isobutyl-4-(2-methoxyphenyl)pyrrol-2(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.081341091 u |
| Formula |
C23H23BrF3NO3 |
| InChI |
InChI=1S/C23H23BrF3NO3/c1-14(2)13-28-21(29)20(24)19(17-6-4-5-7-18(17)31-3)22(28,30)12-15-8-10-16(11-9-15)23(25,26)27/h4-11,14,30H,12-13H2,1-3H3 |
| InChIKey |
VBHGNHOHGSSBRC-UHFFFAOYSA-N |
| Molecular Weight |
498.340 g/mol |
| SMILES |
C=1(C(N(CC(C)C)C(C1Br)=O)(CC1=CC=C(C(F)(F)F)C=C1)O)C1=C(OC)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807383 |
