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Methyl 3-methyl-3-[(([(4-methylphenyl)sulfonyl]amino)carbonyl)amino]butanoate
SpectraBase Compound ID 5VKvaIRebrc
InChI InChI=1S/C14H20N2O5S/c1-10-5-7-11(8-6-10)22(19,20)16-13(18)15-14(2,3)9-12(17)21-4/h5-8H,9H2,1-4H3,(H2,15,16,18)
InChIKey LWDLWWLHMAAGSV-UHFFFAOYSA-N
Mol Weight 328.38 g/mol
Molecular Formula C14H20N2O5S
Exact Mass 328.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7rpNrmC8MC
Name Methyl 3-methyl-3-[(([(4-methylphenyl)sulfonyl]amino)carbonyl)amino]butanoate
Alternate Name(s) 3-Methyl-3-(tosylcarbamoylamino)butyric acid methyl ester 3-Methyl-3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]butanoic acid methyl ester Methyl 3-methyl-3-(p-tolylsulfonylcarbamoylamino)butanoate Methyl 3-methyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]butanoate Methyl 3-methyl-N-(p-toluenesulfonylaminocarbonyl)-3-aminobutanoate
CAS Registry Number 55222-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N2O5S
InChI InChI=1S/C14H20N2O5S/c1-10-5-7-11(8-6-10)22(19,20)16-13(18)15-14(2,3)9-12(17)21-4/h5-8H,9H2,1-4H3,(H2,15,16,18)
InChIKey LWDLWWLHMAAGSV-UHFFFAOYSA-N
Molecular Weight 328.383 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(NC(CC(=O)OC)(C)C)=O
SPLASH splash10-0a4l-9400000000-69b0a9149e228baf73cf
Source of Spectrum J-40-2358-0
Wiley ID 1314061