| SpectraBase Compound ID | EOC5S5svafu |
|---|---|
| InChI | InChI=1S/C14H11ClN2OS/c15-11-8-4-5-9-12(11)16-14(19)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19) |
| InChIKey | XMAAUITXMKFGNA-UHFFFAOYSA-N |
| Mol Weight | 290.77 g/mol |
| Molecular Formula | C14H11ClN2OS |
| Exact Mass | 290.028062 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | T7QvvZyUzw |
|---|---|
| Name | 1-Benzoyl-3-(o-chlorophenyl)-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.028061855 u |
| Formula | C14H11ClN2OS |
| InChI | InChI=1S/C14H11ClN2OS/c15-11-8-4-5-9-12(11)16-14(19)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19) |
| InChIKey | XMAAUITXMKFGNA-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=CC=C1)Cl)C(NC(C=1C=CC=CC1)=O)=S |
| Spectrum/Structure Validation Score (Raman) | 0.931471 |