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Methyl 3-methyl-N-(p-toluenesulfonylaminocarbonyl)-3-aminobutanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 3-methyl-N-(p-toluenesulfonylaminocarbonyl)-3-aminobutanoate
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8oZREgcKNW
Name Methyl 3-methyl-N-(p-toluenesulfonylaminocarbonyl)-3-aminobutanoate
Comments Computed using HOSE algorithm
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Exact Mass 328.109292921 u
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 CC(CC(OC)=O)(C)NC(NS(=O)(=O)C1=CC=C(C=C1)C)=O