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N-[4-(tert-butoxycarbonylamino)-3-thienyl]carbamic acid tert-butyl ester
SpectraBase Compound ID LJ3adl5wf8X
InChI InChI=1S/C14H22N2O4S/c1-13(2,3)19-11(17)15-9-7-21-8-10(9)16-12(18)20-14(4,5)6/h7-8H,1-6H3,(H,15,17)(H,16,18)
InChIKey RZTIDQOQMAWXGI-UHFFFAOYSA-N
Mol Weight 314.4 g/mol
Molecular Formula C14H22N2O4S
Exact Mass 314.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDY673CuyQX
Name N-[4-(Tert-butoxycarbonylamino)-3-thienyl]carbamic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 314.130028366 u
Formula C14H22N2O4S
InChI InChI=1S/C14H22N2O4S/c1-13(2,3)19-11(17)15-9-7-21-8-10(9)16-12(18)20-14(4,5)6/h7-8H,1-6H3,(H,15,17)(H,16,18)
InChIKey RZTIDQOQMAWXGI-UHFFFAOYSA-N
Molecular Weight 314.400 g/mol
SMILES C=1(C(NC(OC(C)(C)C)=O)=CSC1)NC(OC(C)(C)C)=O