| SpectraBase Spectrum ID |
B36LjY3lMdA |
| Name |
(R)-(E)-4-(Phenylsulfonyl)-2-BUTEN2-ol acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.061280101 u |
| Formula |
C12H14O4S |
| InChI |
InChI=1S/C12H14O4S/c1-10(16-11(2)13)8-9-17(14,15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b10-8+ |
| InChIKey |
WHNXIXYSROUVRQ-CSKARUKUSA-N |
| Molecular Weight |
254.300 g/mol |
| SMILES |
C(S(=O)(=O)C=1C=CC=CC1)\C=C/(OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872077 |
