| SpectraBase Compound ID | p2YVKzcWiA |
|---|---|
| InChI | InChI=1S/C5H6N2S2/c8-4-6-2-1-3-7-5-9/h1-3H2 |
| InChIKey | HSFDFWROECINQQ-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C5H6N2S2 |
| Exact Mass | 157.997241 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G3uOczqph5O |
|---|---|
| Name | 1,3-Propane diisothiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.997240549 u |
| Formula | C5H6N2S2 |
| InChI | InChI=1S/C5H6N2S2/c8-4-6-2-1-3-7-5-9/h1-3H2 |
| InChIKey | HSFDFWROECINQQ-UHFFFAOYSA-N |
| SMILES | C(N=C=S)CCN=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936188 |