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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]methyl]-4-[4-(methylthio)phenyl]-, ethyl ester

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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]methyl]-4-[4-(methylthio)phenyl]-, ethyl ester
SpectraBase Compound ID tGgdbesEOE
InChI InChI=1S/C28H28N4O3S2/c1-3-34-28(33)25-23(16-37-27-19(14-29)13-18-7-5-4-6-8-22(18)32-27)35-26(31)21(15-30)24(25)17-9-11-20(36-2)12-10-17/h9-13,24H,3-8,16,31H2,1-2H3
InChIKey HCBHSTUJLXYRRF-UHFFFAOYSA-N
Mol Weight 532.68 g/mol
Molecular Formula C28H28N4O3S2
Exact Mass 532.160283 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2vy56pU17xN
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]methyl]-4-[4-(methylthio)phenyl]-, 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/C28H28N4O3S2/c1-3-34-28(33)25-23(16-37-27-19(14-29)13-18-7-5-4-6-8-22(18)32-27)35-26(31)21(15-30)24(25)17-9-11-20(36-2)12-10-17/h9-13,24H,3-8,16,31H2,1-2H3
InChIKey HCBHSTUJLXYRRF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4213
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: 63LAR2.647; IOH_ID: IOH-011216