| SpectraBase Spectrum ID |
7gbe3DxJYJX |
| Name |
N-Benzyl-N'-(3-methoxyphenyl)thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.098334316 u |
| Formula |
C15H16N2OS |
| InChI |
InChI=1S/C15H16N2OS/c1-18-14-9-5-8-13(10-14)17-15(19)16-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,16,17,19) |
| InChIKey |
CBQPHBHZJCQWHA-UHFFFAOYSA-N |
| SMILES |
C(NC1=CC(OC)=CC=C1)(=S)NCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911948 |
