For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]methyl]-4-(2-fluorophenyl)-, ethyl ester
SpectraBase Compound ID LRBVuaL7Pyw
InChI InChI=1S/C28H27FN4O3S/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 URQRZQUBKZGDSW-UHFFFAOYSA-N
Mol Weight 518.61 g/mol
Molecular Formula C28H27FN4O3S
Exact Mass 518.17879 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6cOuPuscnNk
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]methyl]-4-(2-fluorophenyl)-, 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/C28H27FN4O3S/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 URQRZQUBKZGDSW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1052
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: 63TSH0.261; IOH_ID: IOH-008054