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Acetic acid, 2-[1-(2-nitrophenylthio)-2-pyrrolidinyl]carbonylamino-, methyl ester
SpectraBase Compound ID 775n7XLoLmy
InChI InChI=1S/C14H17N3O5S/c1-22-13(18)9-15-14(19)11-6-4-8-16(11)23-12-7-3-2-5-10(12)17(20)21/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,15,19)
InChIKey SUWOBZDJKWCCCU-UHFFFAOYSA-N
Mol Weight 339.37 g/mol
Molecular Formula C14H17N3O5S
Exact Mass 339.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CDLIwsBLve
Name Acetic acid, 2-[1-(2-nitrophenylthio)-2-pyrrolidinyl]carbonylamino-, methyl ester
Alternate Name(s) 2-[[1-[(2-nitrophenyl)thio]prolyl]amino]acetic acid methyl ester 2-[[[1-[(2-nitrophenyl)thio]-2-pyrrolidinyl]-oxomethyl]amino]acetic acid methyl ester Methyl 2-[[1-(2-nitrophenyl)sulfanylpyrrolidin-2-yl]carbonylamino]ethanoate Methyl 2-[[1-(2-nitrophenyl)sulfanylpyrrolidine-2-carbonyl]amino]acetate
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Formula C14H17N3O5S
InChI InChI=1S/C14H17N3O5S/c1-22-13(18)9-15-14(19)11-6-4-8-16(11)23-12-7-3-2-5-10(12)17(20)21/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,15,19)
InChIKey SUWOBZDJKWCCCU-UHFFFAOYSA-N
Molecular Weight 339.366 g/mol
SMILES N(C(C1N(Sc2c(N(=O)=O)cccc2)CCC1)=O)CC(=O)OC
SPLASH splash10-0kmj-9510000000-e331d06d72b71f94fd20
Source of Spectrum AD-0-2532-0
Wiley ID 1426160