| SpectraBase Compound ID | Hn9BhwbqavM |
|---|---|
| InChI | InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3 |
| InChIKey | HBNYJWAFDZLWRS-UHFFFAOYSA-N |
| Mol Weight | 87.14 g/mol |
| Molecular Formula | C3H5NS |
| Exact Mass | 87.01427 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | sQNgRhpFnM |
|---|---|
| Name | Isothiocyanic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 87.014270339 u |
| Formula | C3H5NS |
| InChI | InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3 |
| InChIKey | HBNYJWAFDZLWRS-UHFFFAOYSA-N |
| SMILES | CCN=C=S |
| Spectrum/Structure Validation Score (Raman) | 0.79972 |