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4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester

View entire compound with spectra: 2 NMR

4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester
SpectraBase Compound ID Jm3tOosmlCk
InChI InChI=1S/C32H29N3O5S2/c1-4-40-32(37)29-23-6-5-7-27(23)42-31(29)35-28(36)18-41-30-25(17-33)24(19-8-12-21(38-2)13-9-19)16-26(34-30)20-10-14-22(39-3)15-11-20/h8-16H,4-7,18H2,1-3H3,(H,35,36)
InChIKey XOBIPCQDGILANI-UHFFFAOYSA-N
Mol Weight 599.7 g/mol
Molecular Formula C32H29N3O5S2
Exact Mass 599.154863 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPA6TV6SPxF
Name ethyl 2-[({[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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/C32H29N3O5S2/c1-4-40-32(37)29-23-6-5-7-27(23)42-31(29)35-28(36)18-41-30-25(17-33)24(19-8-12-21(38-2)13-9-19)16-26(34-30)20-10-14-22(39-3)15-11-20/h8-16H,4-7,18H2,1-3H3,(H,35,36)
InChIKey XOBIPCQDGILANI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19005
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/6077721; Labnumber: UTC-0000121; UZI_ID: UZI-019012
Temperature 313 °C