| SpectraBase Compound ID | 59nvJIVUxPj |
|---|---|
| InChI | InChI=1S/C9H12N2S/c1-7-4-3-5-8(6-7)11-9(12)10-2/h3-6H,1-2H3,(H2,10,11,12) |
| InChIKey | WJAZBJCORJAGMK-UHFFFAOYSA-N |
| Mol Weight | 180.27 g/mol |
| Molecular Formula | C9H12N2S |
| Exact Mass | 180.07212 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 45ysGxpESZm |
|---|---|
| Name | N-Methyl-N'-(3-methylphenyl)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/c1-7-4-3-5-8(6-7)11-9(12)10-2/h3-6H,1-2H3,(H2,10,11,12) |
| InChIKey | WJAZBJCORJAGMK-UHFFFAOYSA-N |
| Molecular Weight | 180.269 g/mol |
| SMILES | C(=S)(NC)NC1=CC(=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856962 |