| SpectraBase Spectrum ID |
1Xo5c1Jl8J5 |
| Name |
2-Phenylcarbamoylmethylsulfanyl-N-(3-trifluoromethyl-phenyl)-acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.080633392 u |
| Formula |
C17H15F3N2O2S |
| InChI |
InChI=1S/C17H15F3N2O2S/c18-17(19,20)12-5-4-8-14(9-12)22-16(24)11-25-10-15(23)21-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,23)(H,22,24) |
| InChIKey |
ODYMSPUZARYCRZ-UHFFFAOYSA-N |
| Molecular Weight |
368.374 g/mol |
| SMILES |
C(C1=CC(NC(=O)CSCC(NC=2C=CC=CC2)=O)=CC=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902073 |
