| SpectraBase Compound ID | 6YeOrRpMhrG |
|---|---|
| InChI | InChI=1S/C4H6ClNS/c5-2-1-3-6-4-7/h1-3H2 |
| InChIKey | ZGFOBQSQLJDLKV-UHFFFAOYSA-N |
| Mol Weight | 135.61 g/mol |
| Molecular Formula | C4H6ClNS |
| Exact Mass | 134.990948 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JeCdSHcjto3 |
|---|---|
| Name | Propane, 1-chloro-3-isothiocyanato- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.990948071 u |
| Formula | C4H6ClNS |
| InChI | InChI=1S/C4H6ClNS/c5-2-1-3-6-4-7/h1-3H2 |
| InChIKey | ZGFOBQSQLJDLKV-UHFFFAOYSA-N |
| SMILES | C(Cl)CCN=C=S |
| Spectrum/Structure Validation Score (Raman) | 0.768679 |