| SpectraBase Spectrum ID |
D9Vv3i2lSBP |
| Name |
1-Iodo-3,3-dimethylbutyl phenyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.999395959 u |
| Formula |
C12H17IO2S |
| InChI |
InChI=1S/C12H17IO2S/c1-12(2,3)9-11(13)16(14,15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3 |
| InChIKey |
IZBJGNHMCDDWEX-UHFFFAOYSA-N |
| Molecular Weight |
352.230 g/mol |
| SMILES |
C=1(S(=O)(=O)C(CC(C)(C)C)I)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840882 |
