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Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate
SpectraBase Compound ID 8vpUoQ69pEb
InChI InChI=1S/C17H21NO3S/c1-21-15(19)14-13(2-3-22-14)18-16(20)17-7-10-4-11(8-17)6-12(5-10)9-17/h2-3,10-12H,4-9H2,1H3,(H,18,20)/t10-,11+,12-,17-
InChIKey PJAYFGOTBRXVKN-KVMGNAQRSA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGWrtbnWrBi
Name Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 319.124214711 u
Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-21-15(19)14-13(2-3-22-14)18-16(20)17-7-10-4-11(8-17)6-12(5-10)9-17/h2-3,10-12H,4-9H2,1H3,(H,18,20)/t10-,11+,12-,17-
InChIKey PJAYFGOTBRXVKN-KVMGNAQRSA-N
Molecular Weight 319.419 g/mol
SMILES N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)C1=C(C(=O)OC)SC=C1