| SpectraBase Compound ID | KpELt6pLv7C |
|---|---|
| InChI | InChI=1S/C8H9NS/c1-3-5-8(4-2)6-9-7-10/h3-4,6H,1-2,5H2/b8-6+ |
| InChIKey | GBSNIMPDBCXUHL-SOFGYWHQSA-N |
| Mol Weight | 151.23 g/mol |
| Molecular Formula | C8H9NS |
| Exact Mass | 151.04557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CfQXtVYnJTx |
|---|---|
| Name | (3Z)-3-(Isothiocyanatomethylene)hexa-1,5-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.045570468 u |
| Formula | C8H9NS |
| InChI | InChI=1S/C8H9NS/c1-3-5-8(4-2)6-9-7-10/h3-4,6H,1-2,5H2/b8-6+ |
| InChIKey | GBSNIMPDBCXUHL-SOFGYWHQSA-N |
| Molecular Weight | 151.227 g/mol |
| SMILES | C(\C(=C/N=C=S)CC=C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944648 |