| SpectraBase Spectrum ID |
8vZvaQdtNZy |
| Name |
(2,2-Dimethylcyclopropyl)methyl phenyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.087100927 u |
| Formula |
C12H16O2S |
| InChI |
InChI=1S/C12H16O2S/c1-12(2)8-10(12)9-15(13,14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey |
QULOVAPYBSYIDP-UHFFFAOYSA-N |
| Molecular Weight |
224.318 g/mol |
| SMILES |
C=1(S(=O)(=O)CC2C(C2)(C)C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934259 |
