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(6S,14R)-6,14-Dimethyl-9-octadecen-2-one

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

(6S,14R)-6,14-Dimethyl-9-octadecen-2-one
SpectraBase Compound ID DUdLUXpycaw
InChI InChI=1S/C20H38O/c1-5-6-13-18(2)14-10-8-7-9-11-15-19(3)16-12-17-20(4)21/h7,9,18-19H,5-6,8,10-17H2,1-4H3/b9-7+/t18-,19-/m1/s1
InChIKey NWRHLJWKUHMWAR-WIWRLWJOSA-N
Mol Weight 294.5 g/mol
Molecular Formula C20H38O
Exact Mass 294.292266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J291S5fz7A1
Name (6S,14R)-6,14-Dimethyl-9-octadecen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.292265843 u
Formula C20H38O
InChI InChI=1S/C20H38O/c1-5-6-13-18(2)14-10-8-7-9-11-15-19(3)16-12-17-20(4)21/h7,9,18-19H,5-6,8,10-17H2,1-4H3/b9-7+/t18-,19-/m1/s1
InChIKey NWRHLJWKUHMWAR-WIWRLWJOSA-N
SMILES C(=O)(CCC[C@@](CC\C=C\CCC[C@@](CCCC)(C)[H])(C)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816269