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1,5-Bis(4-tert-butylphenyl)-5-cyclopropyl-5-hydroxypentan-1-one

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

1,5-Bis(4-tert-butylphenyl)-5-cyclopropyl-5-hydroxypentan-1-one
SpectraBase Compound ID BPoCCUAktHa
InChI InChI=1S/C28H38O2/c1-26(2,3)21-11-9-20(10-12-21)25(29)8-7-19-28(30,24-17-18-24)23-15-13-22(14-16-23)27(4,5)6/h9-16,24,30H,7-8,17-19H2,1-6H3
InChIKey IOMKISMFAUYRAX-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C28H38O2
Exact Mass 406.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L9UVlTeeTrf
Name 1,5-bis-(4-Tert.-butylphenyl)-5-cyclopropyl-5-hydroxypentan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.287180462 u
Formula C28H38O2
InChI InChI=1S/C28H38O2/c1-26(2,3)21-11-9-20(10-12-21)25(29)8-7-19-28(30,24-17-18-24)23-15-13-22(14-16-23)27(4,5)6/h9-16,24,30H,7-8,17-19H2,1-6H3
InChIKey IOMKISMFAUYRAX-UHFFFAOYSA-N
Molecular Weight 406.610 g/mol
SMILES C(=O)(CCCC(O)(C1CC1)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948821