| SpectraBase Compound ID | 9fMM8jQCEDG |
|---|---|
| InChI | InChI=1S/C19H26OS/c1-2-3-4-9-14-18(20)19(15-10-6-11-16-19)21-17-12-7-5-8-13-17/h5,7-8,10,12-13,15H,2-4,6,9,11,14,16H2,1H3 |
| InChIKey | LYUOOGXYOJEIIP-UHFFFAOYSA-N |
| Mol Weight | 302.48 g/mol |
| Molecular Formula | C19H26OS |
| Exact Mass | 302.170437 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FeoccRlVLA8 |
|---|---|
| Name | 1-(1-Phenylthio-2-cyclohexenyl)-1-heptanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.170436630 u |
| Formula | C19H26OS |
| InChI | InChI=1S/C19H26OS/c1-2-3-4-9-14-18(20)19(15-10-6-11-16-19)21-17-12-7-5-8-13-17/h5,7-8,10,12-13,15H,2-4,6,9,11,14,16H2,1H3 |
| InChIKey | LYUOOGXYOJEIIP-UHFFFAOYSA-N |
| SMILES | C1(SC=2C=CC=CC2)(C(=O)CCCCCC)C=CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95173 |