4-(methylthio)-2-[(4-nitrobenzoyl)amino]butyric acid

SpectraBase Compound ID	76EBDzNKVUG
InChI	InChI=1S/C12H14N2O5S/c1-20-7-6-10(12(16)17)13-11(15)8-2-4-9(5-3-8)14(18)19/h2-5,10H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKey	MFBMBHDJLFLUEP-UHFFFAOYSA-N Google Search
Mol Weight	298.31 g/mol
Molecular Formula	C12H14N2O5S
Exact Mass	298.062343 g/mol

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SpectraBase Spectrum ID	K4dDlsOsI4e
Name	4-(methylthio)-2-[(4-nitrobenzoyl)amino]butyric acid
Alternate Name(s)	4-(methylthio)-2-[[(4-nitrophenyl)-oxomethyl]amino]butanoic acid 4-Methylsulfanyl-2-[(4-nitrobenzoyl)amino]butanoic acid 4-Methylsulfanyl-2-[(4-nitrophenyl)carbonylamino]butanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H14N2O5S
InChI	InChI=1S/C12H14N2O5S/c1-20-7-6-10(12(16)17)13-11(15)8-2-4-9(5-3-8)14(18)19/h2-5,10H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKey	MFBMBHDJLFLUEP-UHFFFAOYSA-N
Molecular Weight	298.313 g/mol
SMILES	N(C(c1ccc(N(=O)=O)cc1)=O)C(C(=O)O)CCSC
SPLASH	splash10-00di-4950000000-0fec46d515e8bc879cc7
Source of Spectrum	SK-31-560-0
Wiley ID	881811