| SpectraBase Spectrum ID |
KEnDzgoHF39 |
| Name |
Chloro(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 |
258.048128595 u |
| Formula |
C12H15ClO2S |
| InChI |
InChI=1S/C12H15ClO2S/c1-12(2)8-10(12)11(13)16(14,15)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3 |
| InChIKey |
XZPIAKDRUNMCKY-UHFFFAOYSA-N |
| SMILES |
C=1(S(=O)(=O)C(C2C(C2)(C)C)Cl)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832521 |
