| SpectraBase Compound ID | 2OSHgssd7zQ |
|---|---|
| InChI | InChI=1S/C7H7IN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11) |
| InChIKey | ZLRYBVKJOCYKSD-UHFFFAOYSA-N |
| Mol Weight | 278.11 g/mol |
| Molecular Formula | C7H7IN2S |
| Exact Mass | 277.937464 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AEA9s1Gi69s |
|---|---|
| Name | 1-(o-Iodophenyl)-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.937464407 u |
| Formula | C7H7IN2S |
| InChI | InChI=1S/C7H7IN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11) |
| InChIKey | ZLRYBVKJOCYKSD-UHFFFAOYSA-N |
| Molecular Weight | 278.111 g/mol |
| SMILES | N(C1=CC=CC=C1I)C(N)=S |
| Spectrum/Structure Validation Score (Raman) | 0.848568 |