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1-Octanone, 4-ethyl-2-methyl-1-phenyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Octanone, 4-ethyl-2-methyl-1-phenyl-
SpectraBase Compound ID 3morxcrneTL
InChI InChI=1S/C17H26O/c1-4-6-10-15(5-2)13-14(3)17(18)16-11-8-7-9-12-16/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3
InChIKey ZTTIRKAJWZRMEY-UHFFFAOYSA-N
Mol Weight 246.39 g/mol
Molecular Formula C17H26O
Exact Mass 246.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IbNNTi8vMlw
Name 1-Octanone, 4-ethyl-2-methyl-1-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.198365456 u
Formula C17H26O
InChI InChI=1S/C17H26O/c1-4-6-10-15(5-2)13-14(3)17(18)16-11-8-7-9-12-16/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3
InChIKey ZTTIRKAJWZRMEY-UHFFFAOYSA-N
Molecular Weight 246.394 g/mol
SMILES C1(=CC=CC=C1)C(C(CC(CC)CCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949982