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2-Butyl-2-methyl-1-(1-naphthyl)hexan-1-one

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

2-Butyl-2-methyl-1-(1-naphthyl)hexan-1-one
SpectraBase Compound ID E3onh9Yu35k
InChI InChI=1S/C21H28O/c1-4-6-15-21(3,16-7-5-2)20(22)19-14-10-12-17-11-8-9-13-18(17)19/h8-14H,4-7,15-16H2,1-3H3
InChIKey JSURWLYUMMQWOJ-UHFFFAOYSA-N
Mol Weight 296.45 g/mol
Molecular Formula C21H28O
Exact Mass 296.214016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FNJCPORbqyj
Name 2-Butyl-2-methyl-1-(1-naphthyl)hexan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.214015521 u
Formula C21H28O
InChI InChI=1S/C21H28O/c1-4-6-15-21(3,16-7-5-2)20(22)19-14-10-12-17-11-8-9-13-18(17)19/h8-14H,4-7,15-16H2,1-3H3
InChIKey JSURWLYUMMQWOJ-UHFFFAOYSA-N
SMILES C(C(C1=C2C(=CC=C1)C=CC=C2)=O)(CCCC)(CCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851735