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DL-Leucine, N-[(1-methyl-1H-pyrrol-2-yl)methylene]-, methyl ester
SpectraBase Compound ID 1TvjNGCr1Zv
InChI InChI=1S/C13H20N2O2/c1-10(2)8-12(13(16)17-4)14-9-11-6-5-7-15(11)3/h5-7,9-10,12H,8H2,1-4H3/b14-9+
InChIKey MXBBFHWIGKPTFJ-NTEUORMPSA-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 IpfOHHlEQdf
Name DL-Leucine, N-[(1-methyl-1H-pyrrol-2-yl)methylene]-, methyl ester
Alternate Name(s) methyl 4-methyl-2-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}pentanoate Methyl N-(N-methylpyrrol-2-ylmethylene)leucinate
CAS Registry Number 113370-73-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N2O2
InChI InChI=1S/C13H20N2O2/c1-10(2)8-12(13(16)17-4)14-9-11-6-5-7-15(11)3/h5-7,9-10,12H,8H2,1-4H3/b14-9+
InChIKey MXBBFHWIGKPTFJ-NTEUORMPSA-N
Molecular Weight 236.315 g/mol
SMILES c1([n](ccc1)C)\C=N\C(C(=O)OC)CC(C)C
SPLASH splash10-004i-0940000000-4ce15c1619ece851214d
Source of Spectrum KC-1987-2292-6
Wiley ID 1238179