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4H-pyran-3-carboxylic acid, 6-amino-4-(2-chlorophenyl)-5-cyano-2-[[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]methyl]-, ethyl ester

View entire compound with spectra: 1 NMR

4H-pyran-3-carboxylic acid, 6-amino-4-(2-chlorophenyl)-5-cyano-2-[[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]methyl]-, ethyl ester
SpectraBase Compound ID 5e2EzTpNW0H
InChI InChI=1S/C28H27ClN4O3S/c1-2-35-28(34)25-23(36-26(32)20(15-31)24(25)19-10-7-8-11-21(19)29)16-37-27-18(14-30)13-17-9-5-3-4-6-12-22(17)33-27/h7-8,10-11,13,24H,2-6,9,12,16,32H2,1H3
InChIKey ZBAIQRMTFSZNBN-UHFFFAOYSA-N
Mol Weight 535.06 g/mol
Molecular Formula C28H27ClN4O3S
Exact Mass 534.14924 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DDfhEu64UNW
Name 4H-pyran-3-carboxylic acid, 6-amino-4-(2-chlorophenyl)-5-cyano-2-[[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]methyl]-, ethyl ester
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/C28H27ClN4O3S/c1-2-35-28(34)25-23(36-26(32)20(15-31)24(25)19-10-7-8-11-21(19)29)16-37-27-18(14-30)13-17-9-5-3-4-6-12-22(17)33-27/h7-8,10-11,13,24H,2-6,9,12,16,32H2,1H3
InChIKey ZBAIQRMTFSZNBN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1051
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: 63TSH0.260; IOH_ID: IOH-008053