| SpectraBase Compound ID | 8FxLbdx87a2 |
|---|---|
| InChI | InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3 |
| InChIKey | FGVYCHQRRXDRAR-UHFFFAOYSA-N |
| Mol Weight | 171.3 g/mol |
| Molecular Formula | C9H17NS |
| Exact Mass | 171.108171 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1fltB2Lrv4S |
|---|---|
| Name | Thiocyanic acid, octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.108170725 u |
| Formula | C9H17NS |
| InChI | InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3 |
| InChIKey | FGVYCHQRRXDRAR-UHFFFAOYSA-N |
| Molecular Weight | 171.302 g/mol |
| SMILES | CCCCCCCCSC#N |
| Spectrum/Structure Validation Score (Raman) | 0.984653 |