| SpectraBase Compound ID | E9Sr2fBSSnz |
|---|---|
| InChI | InChI=1S/C9H12N2S/c1-10-9(12)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12) |
| InChIKey | GDUBTTXVKWIAKV-UHFFFAOYSA-N |
| Mol Weight | 180.27 g/mol |
| Molecular Formula | C9H12N2S |
| Exact Mass | 180.07212 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HJyVLXP7FnC |
|---|---|
| Name | 1-Benzyl-3-methyl-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.072119568 u |
| Formula | C9H12N2S |
| InChI | InChI=1S/C9H12N2S/c1-10-9(12)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12) |
| InChIKey | GDUBTTXVKWIAKV-UHFFFAOYSA-N |
| Molecular Weight | 180.269 g/mol |
| SMILES | C(=S)(NCC=1C=CC=CC1)NC |
| Spectrum/Structure Validation Score (Raman) | 0.988955 |