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4,7-Methano-1H-inden-1-one, 2,3,3a,4,7,7a-hexahydro-2,3-diphenyl-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4,7-Methano-1H-inden-1-one, 2,3,3a,4,7,7a-hexahydro-2,3-diphenyl-
SpectraBase Compound ID IGFdtWKCjjT
InChI InChI=1S/C22H20O/c23-22-20(15-9-5-2-6-10-15)18(14-7-3-1-4-8-14)19-16-11-12-17(13-16)21(19)22/h1-12,16-21H,13H2
InChIKey OEBXFLJHCZSGFY-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C22H20O
Exact Mass 300.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5fMw3IZYYXn
Name 4,7-Methano-1H-inden-1-one, 2,3,3A,4,7,7A-hexahydro-2,3-diphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.151415263 u
Formula C22H20O
InChI InChI=1S/C22H20O/c23-22-20(15-9-5-2-6-10-15)18(14-7-3-1-4-8-14)19-16-11-12-17(13-16)21(19)22/h1-12,16-21H,13H2
InChIKey OEBXFLJHCZSGFY-UHFFFAOYSA-N
SMILES C1(C2C(C3CC2C=C3)C(C1C=1C=CC=CC1)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869897