SpectraBase Spectrum ID |
7zlfFBMGSa0 |
Name |
[(E)-2-(1-Ethylallyloxy)prop-1-enyl]sulfonylbenzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.097665611 u |
Formula |
C14H18O3S |
InChI |
InChI=1S/C14H18O3S/c1-4-13(5-2)17-12(3)11-18(15,16)14-9-7-6-8-10-14/h4,6-11,13H,1,5H2,2-3H3/b12-11+ |
InChIKey |
KZBFITOKBYSOIP-VAWYXSNFSA-N |
Molecular Weight |
266.355 g/mol |
SMILES |
C(O\C(=C\S(=O)(=O)C=1C=CC=CC1)C)(C=C)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826632 |