| SpectraBase Spectrum ID |
BP6IR9xzV90 |
| Name |
1-Phenyl-3-(2-(phenylthio)ethyl)-thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.075490871 u |
| Formula |
C15H16N2S2 |
| InChI |
InChI=1S/C15H16N2S2/c18-15(17-13-7-3-1-4-8-13)16-11-12-19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18) |
| InChIKey |
NGMWSIDKFLFFBD-UHFFFAOYSA-N |
| SMILES |
C1=C(C=CC=C1)NC(=S)NCCSC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81801 |
