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Endo-2,2-dimethyl-1,4-diphenyl-3-(2-methyl-1-propenyl)bicyclo[2.2.0]hexane
SpectraBase Compound ID ahKFykUV3U
InChI InChI=1S/C24H28/c1-18(2)17-21-22(3,4)24(20-13-9-6-10-14-20)16-15-23(21,24)19-11-7-5-8-12-19/h5-14,17,21H,15-16H2,1-4H3
InChIKey SHQWWYMURRSZOQ-UHFFFAOYSA-N
Mol Weight 316.49 g/mol
Molecular Formula C24H28
Exact Mass 316.219101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GmF6eTFqeGu
Name Endo-2,2-dimethyl-1,4-diphenyl-3-(2-methyl-1-propenyl)bicyclo[2.2.0]hexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.219100902 u
Formula C24H28
InChI InChI=1S/C24H28/c1-18(2)17-21-22(3,4)24(20-13-9-6-10-14-20)16-15-23(21,24)19-11-7-5-8-12-19/h5-14,17,21H,15-16H2,1-4H3
InChIKey SHQWWYMURRSZOQ-UHFFFAOYSA-N
Molecular Weight 316.488 g/mol
SMILES C12(C(C3=CC=CC=C3)(CC1)C(C2(C)C)C=C(C)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951616