SpectraBase Spectrum ID |
KjTmJuazXFG |
Name |
(E)-4-Phenyl-2,3,6,7-tetrahydrobenzo[B]oxonin-9-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.130679818 u |
Formula |
C18H18O2 |
InChI |
InChI=1S/C18H18O2/c19-17-9-10-18-16(13-17)8-4-7-15(11-12-20-18)14-5-2-1-3-6-14/h1-3,5-7,9-10,13,19H,4,8,11-12H2/b15-7+ |
InChIKey |
IKOBFUUQTANAKU-VIZOYTHASA-N |
Molecular Weight |
266.340 g/mol |
SMILES |
C1=2OCC\C(=C/CCC2C=C(C=C1)O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930353 |