| SpectraBase Spectrum ID |
AS7em3wEFy |
| Name |
2,3-Butadien-1-ol, 4-[(4-methylphenyl)sulfonyl]-, benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.076930165 u |
| Formula |
C18H16O4S |
| InChI |
InChI=1S/C18H16O4S/c1-15-9-11-17(12-10-15)23(20,21)14-6-5-13-22-18(19)16-7-3-2-4-8-16/h2-5,7-12,14H,13H2,1H3 |
| InChIKey |
JKAQDNQEDCEUIK-UHFFFAOYSA-N |
| Molecular Weight |
328.382 g/mol |
| SMILES |
C(S(C1=CC=C(C=C1)C)(=O)=O)=C=CCOC(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902418 |
![2,3-Butadien-1-ol, 4-[(4-methylphenyl)sulfonyl]-, benzoate](/api/spectrum/AS7em3wEFy/structure.png?h=300&w=458 "2,3-Butadien-1-ol, 4-[(4-methylphenyl)sulfonyl]-, benzoate")
