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5-Bromo-1,3-bis[3'-t-butylbicyclo[1.1.1]pent-1'-yl]benzene

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

5-Bromo-1,3-bis[3'-t-butylbicyclo[1.1.1]pent-1'-yl]benzene
SpectraBase Compound ID FKc5pxJWVKD
InChI InChI=1S/C24H33Br/c1-19(2,3)23-10-21(11-23,12-23)16-7-17(9-18(25)8-16)22-13-24(14-22,15-22)20(4,5)6/h7-9H,10-15H2,1-6H3
InChIKey RZBXPQMRAQXBFZ-UHFFFAOYSA-N
Mol Weight 401.4 g/mol
Molecular Formula C24H33Br
Exact Mass 400.176564 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ApPMSUtC9bg
Name 5-Bromo-1,3-bis[3'-T-butylbicyclo[1.1.1]pent-1'-yl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.176564063 u
Formula C24H33Br
InChI InChI=1S/C24H33Br/c1-19(2,3)23-10-21(11-23,12-23)16-7-17(9-18(25)8-16)22-13-24(14-22,15-22)20(4,5)6/h7-9H,10-15H2,1-6H3
InChIKey RZBXPQMRAQXBFZ-UHFFFAOYSA-N
Molecular Weight 401.432 g/mol
SMILES C12(C3=CC(C45CC(C5)(C(C)(C)C)C4)=CC(=C3)Br)CC(C1)(C(C)(C)C)C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90891