SpectraBase Spectrum ID |
57ITYGNkWAZ |
Name |
5-Hydroxy-4-(3-hydroxypropyl)-2-methoxybiphenyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
258.125594437 u |
Formula |
C16H18O3 |
InChI |
InChI=1S/C16H18O3/c1-19-16-10-13(8-5-9-17)15(18)11-14(16)12-6-3-2-4-7-12/h2-4,6-7,10-11,17-18H,5,8-9H2,1H3 |
InChIKey |
GQPWSPRZWNJYNI-UHFFFAOYSA-N |
Molecular Weight |
258.317 g/mol |
SMILES |
C1(=CC=CC=C1)C1=C(C=C(C(=C1)O)CCCO)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826172 |