| SpectraBase Compound ID | 8m3Baj67eXd |
|---|---|
| InChI | InChI=1S/C3H4BrNS/c4-1-2-5-3-6/h1-2H2 |
| InChIKey | SGJVENMTWFTZOJ-UHFFFAOYSA-N |
| Mol Weight | 166.04 g/mol |
| Molecular Formula | C3H4BrNS |
| Exact Mass | 164.924783 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A9jgCIHaWsJ |
|---|---|
| Name | 2-Bromoethyl isothiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.924783307 u |
| Formula | C3H4BrNS |
| InChI | InChI=1S/C3H4BrNS/c4-1-2-5-3-6/h1-2H2 |
| InChIKey | SGJVENMTWFTZOJ-UHFFFAOYSA-N |
| Molecular Weight | 166.036 g/mol |
| SMILES | C(N=C=S)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944498 |