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2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

View entire compound with spectra: 1 NMR

2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
SpectraBase Compound ID EdflNr5XU5T
InChI InChI=1S/C26H18N2O2S/c27-12-18-13-10-5-11-19(13)31-26(18)28-24(29)22-20-14-6-1-2-7-15(14)21(23(22)25(28)30)17-9-4-3-8-16(17)20/h1-4,6-9,20-23H,5,10-11H2
InChIKey MYBQIZSCEVFIQK-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C26H18N2O2S
Exact Mass 422.108899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6gPwFleOnxe
Name 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
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/C26H18N2O2S/c27-12-18-13-10-5-11-19(13)31-26(18)28-24(29)22-20-14-6-1-2-7-15(14)21(23(22)25(28)30)17-9-4-3-8-16(17)20/h1-4,6-9,20-23H,5,10-11H2
InChIKey MYBQIZSCEVFIQK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3404
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: 112096; Labnumber: AMIR-3657; VK_ID: VK-003405
Temperature 318 °C