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2-Tert-butyl-5,5-dimethyl-1-phenyl-1,4-hexanedione

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

2-Tert-butyl-5,5-dimethyl-1-phenyl-1,4-hexanedione
SpectraBase Compound ID EHTJ6bym8KI
InChI InChI=1S/C18H26O2/c1-17(2,3)14(12-15(19)18(4,5)6)16(20)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKey HJEPIXWXGVWJPI-UHFFFAOYSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5WRD49nSpsk
Name 2-Tert-butyl-5,5-dimethyl-1-phenyl-1,4-hexanedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.193280075 u
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-17(2,3)14(12-15(19)18(4,5)6)16(20)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKey HJEPIXWXGVWJPI-UHFFFAOYSA-N
Molecular Weight 274.404 g/mol
SMILES C(C(=O)C=1C=CC=CC1)(CC(C(C)(C)C)=O)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928733