| SpectraBase Spectrum ID |
GQ8K5FLCSES |
| Name |
1-(Phenylthiomethyl)cyclodecene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.159871947 u |
| Formula |
C17H24S |
| InChI |
InChI=1S/C17H24S/c1-2-4-7-11-16(12-8-5-3-1)15-18-17-13-9-6-10-14-17/h6,9-11,13-14H,1-5,7-8,12,15H2/b16-11+ |
| InChIKey |
XXXYXFJGAXWRHR-LFIBNONCSA-N |
| Molecular Weight |
260.439 g/mol |
| SMILES |
C1\C=C/(CCCCCCC1)CSC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835518 |