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Cycloheptene, 1,2-bis(methylphenyl)-

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Cycloheptene, 1,2-bis(methylphenyl)-
SpectraBase Compound ID ALkVQ0mUPTp
InChI InChI=1S/C21H24/c1-16-10-6-8-12-18(16)20-14-4-3-5-15-21(20)19-13-9-7-11-17(19)2/h6-13H,3-5,14-15H2,1-2H3
InChIKey UWRBHSRDGZJIGH-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C21H24
Exact Mass 276.187801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7sudLT9ijJa
Name Cycloheptene, 1,2-bis(methylphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.187800773 u
Formula C21H24
InChI InChI=1S/C21H24/c1-16-10-6-8-12-18(16)20-14-4-3-5-15-21(20)19-13-9-7-11-17(19)2/h6-13H,3-5,14-15H2,1-2H3
InChIKey UWRBHSRDGZJIGH-UHFFFAOYSA-N
Molecular Weight 276.423 g/mol
SMILES C1(=C(C=2C(C)=CC=CC2)CCCCC1)C=1C(C)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979899