| SpectraBase Compound ID | 2VaCFjOPiYv |
|---|---|
| InChI | InChI=1S/C6H11NS/c1-6(2)3-4-8-5-7/h6H,3-4H2,1-2H3 |
| InChIKey | ORHMKUZMEMIFRD-UHFFFAOYSA-N |
| Mol Weight | 129.22 g/mol |
| Molecular Formula | C6H11NS |
| Exact Mass | 129.061221 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3BpzBF6jTsS |
|---|---|
| Name | Thiocyanic acid, isopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.061220532 u |
| Formula | C6H11NS |
| InChI | InChI=1S/C6H11NS/c1-6(2)3-4-8-5-7/h6H,3-4H2,1-2H3 |
| InChIKey | ORHMKUZMEMIFRD-UHFFFAOYSA-N |
| Molecular Weight | 129.221 g/mol |
| SMILES | CC(CCSC#N)C |
| Spectrum/Structure Validation Score (Raman) | 0.711512 |