| SpectraBase Spectrum ID |
GiMjCQgPEoG |
| Name |
2-(1-Tosylethyl)prop-2-en-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.082015546 u |
| Formula |
C12H16O3S |
| InChI |
InChI=1S/C12H16O3S/c1-9-4-6-12(7-5-9)16(14,15)11(3)10(2)8-13/h4-7,11,13H,2,8H2,1,3H3 |
| InChIKey |
MGRBRABTANQZPF-UHFFFAOYSA-N |
| Molecular Weight |
240.317 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)(=O)=O)(C(=C)CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925101 |
