| SpectraBase Spectrum ID |
BzSwuawpB5g |
| Name |
(R)-3,3-Dimethylbutyl p-tolyl sulfoxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.123486437 u |
| Formula |
C13H20OS |
| InChI |
InChI=1S/C13H20OS/c1-11-5-7-12(8-6-11)15(14)10-9-13(2,3)4/h5-8H,9-10H2,1-4H3 |
| InChIKey |
BCQXVJVEQGZLNZ-UHFFFAOYSA-N |
| Molecular Weight |
224.362 g/mol |
| SMILES |
C(S(=O)C=1C=CC(=CC1)C)CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824531 |
