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(S)-2-[Ethyl-(4-nitro-benzenesulfonyl)-amino]-3-methyl-butyric acid methyl ester
SpectraBase Compound ID 88KxoFFFJgH
InChI InChI=1S/C14H20N2O6S/c1-5-15(13(10(2)3)14(17)22-4)23(20,21)12-8-6-11(7-9-12)16(18)19/h6-10,13H,5H2,1-4H3/t13-/m0/s1
InChIKey CJOJBULMDZKGFC-ZDUSSCGKSA-N
Mol Weight 344.38 g/mol
Molecular Formula C14H20N2O6S
Exact Mass 344.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eVNq7DkT3c
Name (S)-2-[Ethyl-(4-nitro-benzenesulfonyl)-amino]-3-methyl-butyric acid methyl ester
Alternate Name(s) N-Ethyl-N-nosyl-1-valine Methyl Ester (2S)-2-[ethyl-(4-nitrophenyl)sulfonylamino]-3-methylbutanoic acid methyl ester Methyl (2S)-2-[ethyl-(4-nitrophenyl)sulfonylamino]-3-methylbutanoate Methyl (2S)-2-[ethyl-(4-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate
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Formula C14H20N2O6S
InChI InChI=1S/C14H20N2O6S/c1-5-15(13(10(2)3)14(17)22-4)23(20,21)12-8-6-11(7-9-12)16(18)19/h6-10,13H,5H2,1-4H3/t13-/m0/s1
InChIKey CJOJBULMDZKGFC-ZDUSSCGKSA-N
Molecular Weight 344.382 g/mol
SMILES [C@](N(S(c1ccc(N(=O)=O)cc1)(=O)=O)CC)(C(=O)OC)(C(C)C)[H]
SPLASH splash10-000i-1392000000-4571298179d85e9b9baa
Source of Spectrum U1-2010-4248-2b
Wiley ID 1664117