| SpectraBase Compound ID | GNCrw0NSQvb |
|---|---|
| InChI | InChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3 |
| InChIKey | HFWWGJSMDPUEFD-UHFFFAOYSA-N |
| Mol Weight | 199.36 g/mol |
| Molecular Formula | C11H21NS |
| Exact Mass | 199.139471 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JfY8ZvHkdIb |
|---|---|
| Name | Isothiocyanic acid, decyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.139470854 u |
| Formula | C11H21NS |
| InChI | InChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3 |
| InChIKey | HFWWGJSMDPUEFD-UHFFFAOYSA-N |
| Molecular Weight | 199.356 g/mol |
| SMILES | C(N=C=S)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844856 |