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Cyclohexanone, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,R*)-(.+-.)-

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

Cyclohexanone, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,R*)-(.+-.)-
SpectraBase Compound ID BYc6MxlabS3
InChI InChI=1S/C18H30O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-14,17-18H,3-12H2,1-2H3/t17-,18-/m1/s1
InChIKey PDJCYKNESXITTF-QZTJIDSGSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BYLJA6pHKLZ
Name Cyclohexanone, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,R*)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.224580204 u
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-14,17-18H,3-12H2,1-2H3/t17-,18-/m1/s1
InChIKey PDJCYKNESXITTF-QZTJIDSGSA-N
SMILES [C@@]([C@@](C1CCC(CC1)=O)(CC)[H])(C1CCC(CC1)=O)(CC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962111