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1,3,5-tris[3'-t-Butylbicyclo[1.1.1]pent-1'-yl]benzene

View entire compound with spectra: 1 MS (GC)

1,3,5-tris[3'-t-Butylbicyclo[1.1.1]pent-1'-yl]benzene
SpectraBase Compound ID AAZG4NXjbAs
InChI InChI=1S/C33H48/c1-25(2,3)31-13-28(14-31,15-31)22-10-23(29-16-32(17-29,18-29)26(4,5)6)12-24(11-22)30-19-33(20-30,21-30)27(7,8)9/h10-12H,13-21H2,1-9H3
InChIKey NONIIVMNMSZHJL-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C33H48
Exact Mass 444.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FPGke7VhsC
Name 1,3,5-tris[3'-t-Butylbicyclo[1.1.1]pent-1'-yl]benzene
Alternate Name(s) 1-[3,5-bis(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)phenyl]-3-tert-butylbicyclo[1.1.1]pentane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H48
InChI InChI=1S/C33H48/c1-25(2,3)31-13-28(14-31,15-31)22-10-23(29-16-32(17-29,18-29)26(4,5)6)12-24(11-22)30-19-33(20-30,21-30)27(7,8)9/h10-12H,13-21H2,1-9H3
InChIKey NONIIVMNMSZHJL-UHFFFAOYSA-N
Molecular Weight 444.747 g/mol
SMILES C12(c3cc(C45CC(C5)(C(C)(C)C)C4)cc(C45CC(C5)(C(C)(C)C)C4)c3)CC(C1)(C(C)(C)C)C2
SPLASH splash10-0a4i-9101000000-aafb74cd76184653b5c4
Source of Spectrum U1-1999-2084-8a
Wiley ID 814929