SpectraBase Spectrum ID |
5I0rLcdW36k |
Name |
1-(4-Chlorophenyl)-1-(4-acetoxyphenyl)ethanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.070972040 u |
Formula |
C16H15ClO3 |
InChI |
InChI=1S/C16H15ClO3/c1-11(18)20-15-9-5-13(6-10-15)16(2,19)12-3-7-14(17)8-4-12/h3-10,19H,1-2H3 |
InChIKey |
YQONCGYWLGTZRR-UHFFFAOYSA-N |
SMILES |
C(C=1C=CC(OC(=O)C)=CC1)(C=1C=CC(=CC1)Cl)(O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807599 |