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1-Methyl-2-cyano-3-ethyl-4-(1'-oxo-4'-hydroxy-butyl)-2-piperideine
SpectraBase Compound ID 5rJ78TxNUMC
InChI InChI=1S/C13H20N2O2/c1-3-10-11(13(17)5-4-8-16)6-7-15(2)12(10)9-14/h11,16H,3-8H2,1-2H3
InChIKey SAJBBCOOGCSNPU-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C13H20N2O2
Exact Mass 236.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pQC18QTodt
Name 2-Pyridinecarbonitrile, 3-ethyl-1,4,5,6-tetrahydro-4-(4-hydroxy-1-oxobutyl)-1-methyl-
CAS Registry Number 73658-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N2O2
InChI InChI=1S/C13H20N2O2/c1-3-10-11(13(17)5-4-8-16)6-7-15(2)12(10)9-14/h11,16H,3-8H2,1-2H3
InChIKey SAJBBCOOGCSNPU-UHFFFAOYSA-N
Molecular Weight 236.315 g/mol
SMILES OCCCC(C1C(=C(N(CC1)C)C#N)CC)=O
SPLASH splash10-0002-0900000000-9f3113dbd3cdecc1340d
Source of Spectrum C-102-1080-0
Synonyms 1-Methyl-2-cyano-3-ethyl-4-(1'-oxo-4'-hydroxybutyl)-2-piperideine 3-Ethyl-4-(4-hydroxybutanoyl)-1-methyl-1,4,5,6-tetrahydro-2-pyridinecarbonitrile
Wiley ID 1238173