SpectraBase Spectrum ID |
39PJLlLimxg |
Name |
1-[4-(2-Methyl-1,3-dioxolan-2-yl)phenyl]ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
206.094294308 u |
Formula |
C12H14O3 |
InChI |
InChI=1S/C12H14O3/c1-9(13)10-3-5-11(6-4-10)12(2)14-7-8-15-12/h3-6H,7-8H2,1-2H3 |
InChIKey |
GOVZWBDODFNBOP-UHFFFAOYSA-N |
Molecular Weight |
206.241 g/mol |
SMILES |
C1(C2=CC=C(C=C2)C(=O)C)(OCCO1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923242 |