SpectraBase Spectrum ID |
LgZ7R3WzbN8 |
Name |
2-[2-[2-(1,1-Dimethylethyl)phenylthio]-1-methylethyl]-1,3-dioxolane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.149701185 u |
Formula |
C16H24O2S |
InChI |
InChI=1S/C16H24O2S/c1-12(15-17-9-10-18-15)11-19-14-8-6-5-7-13(14)16(2,3)4/h5-8,12,15H,9-11H2,1-4H3 |
InChIKey |
RQQWIGZQTGAHON-UHFFFAOYSA-N |
SMILES |
C1=CC(=C(C=C1)SCC(C)C1OCCO1)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823766 |