SpectraBase Spectrum ID |
XI9O3TANN0 |
Name |
3-Methoxy-11-bromo-4,5-diphenyltricyclo[8.4.1.0(2,7)]pentadeca-1(14),2(7),3,5,8,10,12-heptaen-6-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
468.072492914 u |
Formula |
C28H21BrO2 |
InChI |
InChI=1S/C28H21BrO2/c1-31-28-24-21-13-8-14-23(29)20(17-21)15-16-22(24)27(30)25(18-9-4-2-5-10-18)26(28)19-11-6-3-7-12-19/h2-16,30H,17H2,1H3 |
InChIKey |
GNXXEFXFMPWBKZ-UHFFFAOYSA-N |
Molecular Weight |
469.378 g/mol |
SMILES |
C12=C(C=3CC(C=C2)=C(C=CC3)Br)C(OC)=C(C(=C1O)C1=CC=CC=C1)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915372 |