| SpectraBase Spectrum ID |
HHDB6unL5KT |
| Name |
Thiourea, 1-(2,3-dimethylphenyl)-3-(3-phenylpropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.129634445 u |
| Formula |
C18H20N2OS |
| InChI |
InChI=1S/C18H20N2OS/c1-13-7-6-10-16(14(13)2)19-18(22)20-17(21)12-11-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H2,19,20,21,22) |
| InChIKey |
DTALVJDYKHSJNI-UHFFFAOYSA-N |
| Molecular Weight |
312.431 g/mol |
| SMILES |
C(NC(=O)CCC1=CC=CC=C1)(NC1=C(C(C)=CC=C1)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911933 |
