| SpectraBase Compound ID | 3nEOGHtynP7 |
|---|---|
| InChI | InChI=1S/C10H22S/c1-4-5-6-7-8-9-11-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | DBPSYWLCQUZHGD-UHFFFAOYSA-N |
| Mol Weight | 174.35 g/mol |
| Molecular Formula | C10H22S |
| Exact Mass | 174.144222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GYcuSadry4r |
|---|---|
| Name | Heptyl isopropyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.144221882 u |
| Formula | C10H22S |
| InChI | InChI=1S/C10H22S/c1-4-5-6-7-8-9-11-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | DBPSYWLCQUZHGD-UHFFFAOYSA-N |
| Molecular Weight | 174.346 g/mol |
| SMILES | C(SCCCCCCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909439 |