| SpectraBase Spectrum ID |
CQLaH5S9VZg |
| Name |
p-Tolyl 5-phenylnona-1,4-dien-4-yl sulfoxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.170436630 u |
| Formula |
C22H26OS |
| InChI |
InChI=1S/C22H26OS/c1-4-6-13-21(19-11-8-7-9-12-19)22(10-5-2)24(23)20-16-14-18(3)15-17-20/h5,7-9,11-12,14-17H,2,4,6,10,13H2,1,3H3/b22-21+ |
| InChIKey |
PTLMGXPQBXJULC-QURGRASLSA-N |
| Molecular Weight |
338.509 g/mol |
| SMILES |
C(\C(S(=O)C=1C=CC(=CC1)C)=C\(CCCC)C=1C=CC=CC1)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89999 |
