SpectraBase Spectrum ID |
80aFuWyVRmn |
Name |
2,2'-Dihydroxybiphenyl, acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
228.078644243 u |
Formula |
C14H12O3 |
InChI |
InChI=1S/C14H12O3/c1-10(15)17-14-9-5-3-7-12(14)11-6-2-4-8-13(11)16/h2-9,16H,1H3 |
InChIKey |
JBUKDWUVSDEGFV-UHFFFAOYSA-N |
Molecular Weight |
228.247 g/mol |
SMILES |
C1(O)=C(C=CC=C1)C1=C(OC(C)=O)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942627 |