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Isopropyl 2-[(1-adamantylcarbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Isopropyl 2-[(1-adamantylcarbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 2EVQ3HQiuxn
InChI InChI=1S/C21H29NO3S/c1-11(2)25-19(23)17-12(3)13(4)26-18(17)22-20(24)21-8-14-5-15(9-21)7-16(6-14)10-21/h11,14-16H,5-10H2,1-4H3,(H,22,24)/t14-,15+,16-,21-
InChIKey HYOUWAOENIGTGS-OFIQSVQDSA-N
Mol Weight 375.53 g/mol
Molecular Formula C21H29NO3S
Exact Mass 375.186815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9tAEJQIrcpD
Name Isopropyl 2-[(1-adamantylcarbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.186814969 u
Formula C21H29NO3S
InChI InChI=1S/C21H29NO3S/c1-11(2)25-19(23)17-12(3)13(4)26-18(17)22-20(24)21-8-14-5-15(9-21)7-16(6-14)10-21/h11,14-16H,5-10H2,1-4H3,(H,22,24)/t14-,15+,16-,21-
InChIKey HYOUWAOENIGTGS-OFIQSVQDSA-N
Molecular Weight 375.527 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C(=C(C)S1)C)C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O