SpectraBase Spectrum ID |
Jr4eDVjCgb5 |
Name |
3-(2-Biphenylyloxy)-1,2-propanediol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.109944372 u |
Formula |
C15H16O3 |
InChI |
InChI=1S/C15H16O3/c16-10-13(17)11-18-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,13,16-17H,10-11H2 |
InChIKey |
QDYAOQJCHFOYNV-UHFFFAOYSA-N |
Molecular Weight |
244.290 g/mol |
SMILES |
OC(CO)COC=1C(=CC=CC1)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.992127 |