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3-(1-cyanodecanyl)-5,5-dimethyl-2-cyclohexenone
SpectraBase Compound ID E0yykke5l99
InChI InChI=1S/C19H31NO/c1-4-5-6-7-8-9-10-11-16(15-20)17-12-18(21)14-19(2,3)13-17/h12,16H,4-11,13-14H2,1-3H3
InChIKey KNLDHSQXDIAOJY-UHFFFAOYSA-N
Mol Weight 289.46 g/mol
Molecular Formula C19H31NO
Exact Mass 289.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOSjpfRAmGt
Name 3-(1-cyanodecanyl)-5,5-dimethyl-2-cyclohexenone
Alternate Name(s) 2-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)undecanenitrile
CAS Registry Number 117582-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO
InChI InChI=1S/C19H31NO/c1-4-5-6-7-8-9-10-11-16(15-20)17-12-18(21)14-19(2,3)13-17/h12,16H,4-11,13-14H2,1-3H3
InChIKey KNLDHSQXDIAOJY-UHFFFAOYSA-N
Molecular Weight 289.463 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)C(C#N)CCCCCCCCC
SPLASH splash10-0f8i-9850000000-2300f3bff72b1dc45ea2
Source of Spectrum C-111-320-0
Wiley ID 1292897