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N-(2-Cyanoethyl)leucine

View entire compound with spectra: 1 MS (GC)

N-(2-Cyanoethyl)leucine
SpectraBase Compound ID 1dY389JXYYc
InChI InChI=1S/C9H16N2O2/c1-7(2)6-8(9(12)13)11-5-3-4-10/h7-8,11H,3,5-6H2,1-2H3,(H,12,13)
InChIKey LDJILTICAUJGMO-UHFFFAOYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C9H16N2O2
Exact Mass 184.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IffX543Xebh
Name N-(2-Cyanoethyl)leucine
Alternate Name(s) 2-(2-cyanoethylamino)-4-methyl-pentanoic acid 2-(2-cyanoethylamino)-4-methyl-valeric acid Pentanoic acid, 2-(2-cyanoethylamino)-4-methyl-
CAS Registry Number 81666-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16N2O2
InChI InChI=1S/C9H16N2O2/c1-7(2)6-8(9(12)13)11-5-3-4-10/h7-8,11H,3,5-6H2,1-2H3,(H,12,13)
InChIKey LDJILTICAUJGMO-UHFFFAOYSA-N
Molecular Weight 184.239 g/mol
SMILES OC(C(NCCC#N)CC(C)C)=O
SPLASH splash10-000f-9100000000-22f02e7746440cb1c857
Source of Spectrum AD-0-2532-0
Wiley ID 1424066