| SpectraBase Compound ID | JX1Nx7GP4jh |
|---|---|
| InChI | InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey | XQACWEBGSZBLRG-UHFFFAOYSA-N |
| Mol Weight | 214.08 g/mol |
| Molecular Formula | C7H4BrNS |
| Exact Mass | 212.924783 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K7nWTXMZJJG |
|---|---|
| Name | 4-Bromphenylisothiocyanat |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.924783307 u |
| Formula | C7H4BrNS |
| InChI | InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey | XQACWEBGSZBLRG-UHFFFAOYSA-N |
| Molecular Weight | 214.080 g/mol |
| SMILES | C=1(Br)C=CC(=CC1)N=C=S |
| Spectrum/Structure Validation Score (Raman) | 0.991346 |