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3,3'-Diisopropyl-1,1'-bis(bicyclo[1.1.1]pentane]

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

3,3'-Diisopropyl-1,1'-bis(bicyclo[1.1.1]pentane]
SpectraBase Compound ID LS1wpRCWIkA
InChI InChI=1S/C16H26/c1-11(2)13-5-15(6-13,7-13)16-8-14(9-16,10-16)12(3)4/h11-12H,5-10H2,1-4H3
InChIKey WQUHIMASPLZJGL-UHFFFAOYSA-N
Mol Weight 218.38 g/mol
Molecular Formula C16H26
Exact Mass 218.203451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KTD2TN4mgRY
Name 3,3'-Diisopropyl-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 218.203450837 u
Formula C16H26
InChI InChI=1S/C16H26/c1-11(2)13-5-15(6-13,7-13)16-8-14(9-16,10-16)12(3)4/h11-12H,5-10H2,1-4H3
InChIKey WQUHIMASPLZJGL-UHFFFAOYSA-N
Molecular Weight 218.384 g/mol
SMILES C12(C34CC(C4)(C(C)C)C3)CC(C1)(C(C)C)C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88819