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ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID 8fASd0ZBI75
InChI InChI=1S/C26H31N3O3S2/c1-3-32-25(31)22-15(2)28-24(19(13-27)23(22)20-5-4-6-33-20)34-14-21(30)29-26-10-16-7-17(11-26)9-18(8-16)12-26/h4-6,16-18,23,28H,3,7-12,14H2,1-2H3,(H,29,30)/t16-,17+,18-,23?,26-
InChIKey IJXNMGMTPWAOIV-PKRPYHAVSA-N
Mol Weight 497.67 g/mol
Molecular Formula C26H31N3O3S2
Exact Mass 497.180684 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ojHB0FtXUc
Name ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H31N3O3S2/c1-3-32-25(31)22-15(2)28-24(19(13-27)23(22)20-5-4-6-33-20)34-14-21(30)29-26-10-16-7-17(11-26)9-18(8-16)12-26/h4-6,16-18,23,28H,3,7-12,14H2,1-2H3,(H,29,30)/t16-,17+,18-,23?,26-
InChIKey IJXNMGMTPWAOIV-PKRPYHAVSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15537
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/7105428; UBI_ID: UBI-015540
Temperature 308 °C