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2-Octyl-1-phenyl-butane-1,3-dione

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

2-Octyl-1-phenyl-butane-1,3-dione
SpectraBase Compound ID ELeRcUXIMnb
InChI InChI=1S/C18H26O2/c1-3-4-5-6-7-11-14-17(15(2)19)18(20)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7,11,14H2,1-2H3
InChIKey OLGHRLWDRJDQRS-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 5P4t3Ge2cdo
Name 2-Octyl-1-phenyl-butane-1,3-dione
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/c1-3-4-5-6-7-11-14-17(15(2)19)18(20)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7,11,14H2,1-2H3
InChIKey OLGHRLWDRJDQRS-UHFFFAOYSA-N
Molecular Weight 274.404 g/mol
SMILES C(C(C(=O)C)CCCCCCCC)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970317