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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
SpectraBase Compound ID IIEguOFI42h
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
Mol Weight 469.38 g/mol
Molecular Formula C28H21BrO2
Exact Mass 468.072493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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