SpectraBase Spectrum ID |
CmWZbpL0xLn |
Name |
Acetic acid, phenoxy-, 2-methylphenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
242.094294308 u |
Formula |
C15H14O3 |
InChI |
InChI=1S/C15H14O3/c1-12-7-5-6-10-14(12)18-15(16)11-17-13-8-3-2-4-9-13/h2-10H,11H2,1H3 |
InChIKey |
MCAORZBZTONBGH-UHFFFAOYSA-N |
Molecular Weight |
242.274 g/mol |
SMILES |
C(OC=1C(C)=CC=CC1)(=O)COC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960314 |