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

*Links on SpectraBase are not permalinks.
3-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)-6-methyl-1-benzothiophene-2-carboxamide
SpectraBase Compound ID DHEpaxreWIp
InChI InChI=1S/C21H19ClN2OS2/c1-12-8-9-14-17(10-12)26-19(18(14)22)20(25)24-21-15(11-23)13-6-4-2-3-5-7-16(13)27-21/h8-10H,2-7H2,1H3,(H,24,25)
InChIKey ISOZHORCUNKSOE-UHFFFAOYSA-N
Mol Weight 414.97 g/mol
Molecular Formula C21H19ClN2OS2
Exact Mass 414.062733 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 2FLOfdIzXFV
Name 3-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)-6-methyl-1-benzothiophene-2-carboxamide
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/C21H19ClN2OS2/c1-12-8-9-14-17(10-12)26-19(18(14)22)20(25)24-21-15(11-23)13-6-4-2-3-5-7-16(13)27-21/h8-10H,2-7H2,1H3,(H,24,25)
InChIKey ISOZHORCUNKSOE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1933
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/8037090; UBI_ID: UBI-001934
Temperature 313 °C