| SpectraBase Compound ID | JmcRv4qmcB2 |
|---|---|
| InChI | InChI=1S/C10H11ClN2S/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H2,12,13,14) |
| InChIKey | CIYHLGZJXIQQNB-UHFFFAOYSA-N |
| Mol Weight | 226.72 g/mol |
| Molecular Formula | C10H11ClN2S |
| Exact Mass | 226.033147 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6FPVhMtIJSl |
|---|---|
| Name | 1-Allyl-3-(p-chlorophenyl)-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.033147236 u |
| Formula | C10H11ClN2S |
| InChI | InChI=1S/C10H11ClN2S/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H2,12,13,14) |
| InChIKey | CIYHLGZJXIQQNB-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1)Cl)C(=S)NCC=C |
| Spectrum/Structure Validation Score (Raman) | 0.733134 |