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3,3'-di(t-Butyl)-1,1'-bis(bicyclo[1.1.1]pentane]

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

3,3'-di(t-Butyl)-1,1'-bis(bicyclo[1.1.1]pentane]
SpectraBase Compound ID 3vqMHpjdehP
InChI InChI=1S/C18H30/c1-13(2,3)15-7-17(8-15,9-15)18-10-16(11-18,12-18)14(4,5)6/h7-12H2,1-6H3
InChIKey KCXXSCSJAKSBJH-UHFFFAOYSA-N
Mol Weight 246.44 g/mol
Molecular Formula C18H30
Exact Mass 246.234751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID bNzS4zVSEx
Name 3,3'-di(T-Butyl)-1,1'-bis(bicyclo[1.1.1]pentane]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.234750966 u
Formula C18H30
InChI InChI=1S/C18H30/c1-13(2,3)15-7-17(8-15,9-15)18-10-16(11-18,12-18)14(4,5)6/h7-12H2,1-6H3
InChIKey KCXXSCSJAKSBJH-UHFFFAOYSA-N
Molecular Weight 246.438 g/mol
SMILES C12(C34CC(C4)(C(C)(C)C)C3)CC(C1)(C(C)(C)C)C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946386