| SpectraBase Spectrum ID |
8OUkTFXzuZh |
| Name |
Trans-1-(p-(methylthio)phenyl)-1-dodecen-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.186086695 u |
| Formula |
C19H28OS |
| InChI |
InChI=1S/C19H28OS/c1-3-4-5-6-7-8-9-10-18(20)14-11-17-12-15-19(21-2)16-13-17/h11-16H,3-10H2,1-2H3/b14-11+ |
| InChIKey |
QPSJWSJPSIJJCN-SDNWHVSQSA-N |
| SMILES |
C1=C(C=CC(=C1)SC)\C=C\C(CCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877027 |
