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2-(1-Adamantylcarbonyl)-3-amino-4,6-diphenylthieno[2,3-b]pyridine

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

2-(1-Adamantylcarbonyl)-3-amino-4,6-diphenylthieno[2,3-b]pyridine
SpectraBase Compound ID L0ZhMDuuo4a
InChI InChI=1S/C30H28N2OS/c31-26-25-23(21-7-3-1-4-8-21)14-24(22-9-5-2-6-10-22)32-29(25)34-27(26)28(33)30-15-18-11-19(16-30)13-20(12-18)17-30/h1-10,14,18-20H,11-13,15-17,31H2/t18-,19+,20-,30-
InChIKey LPVWSKUQWNBATN-JNXBURMTSA-N
Mol Weight 464.63 g/mol
Molecular Formula C30H28N2OS
Exact Mass 464.192235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SsM1VdJTgh
Name 2-(1-Adamantylcarbonyl)-3-amino-4,6-diphenylthieno[2,3-B]pyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.192234703 u
Formula C30H28N2OS
InChI InChI=1S/C30H28N2OS/c31-26-25-23(21-7-3-1-4-8-21)14-24(22-9-5-2-6-10-22)32-29(25)34-27(26)28(33)30-15-18-11-19(16-30)13-20(12-18)17-30/h1-10,14,18-20H,11-13,15-17,31H2/t18-,19+,20-,30-
InChIKey LPVWSKUQWNBATN-JNXBURMTSA-N
Molecular Weight 464.627 g/mol
SMILES C1(=C(C2=C(C=C(N=C2S1)C1=CC=CC=C1)C=1C=CC=CC1)N)C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O