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Cyclododecanecarbonitrile, 1-(3-hydroxybutyl)-2-oxo-
SpectraBase Compound ID 7tU8yI615DE
InChI InChI=1S/C17H29NO2/c1-15(19)11-13-17(14-18)12-9-7-5-3-2-4-6-8-10-16(17)20/h15,19H,2-13H2,1H3
InChIKey WKKCBQIDDMOBQA-UHFFFAOYSA-N
Mol Weight 279.42 g/mol
Molecular Formula C17H29NO2
Exact Mass 279.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5suvnpCdr6H
Name Cyclododecanecarbonitrile, 1-(3-hydroxybutyl)-2-oxo-
Alternate Name(s) 1-(3'-Hydroxybutyl)-2-oxocyclododecan-1-carbonitril 1-(3-hydroxybutyl)-2-oxocyclododecanecarbonitrile
CAS Registry Number 106943-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29NO2
InChI InChI=1S/C17H29NO2/c1-15(19)11-13-17(14-18)12-9-7-5-3-2-4-6-8-10-16(17)20/h15,19H,2-13H2,1H3
InChIKey WKKCBQIDDMOBQA-UHFFFAOYSA-N
Molecular Weight 279.424 g/mol
SMILES OC(CCC1(C#N)C(=O)CCCCCCCCCC1)C
SPLASH splash10-052g-9200000000-834f64845007b2a84223
Source of Spectrum H-68-2117-5
Wiley ID 1283129