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

*Links on SpectraBase are not permalinks.
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID 5nDxOjFjJR1
InChI InChI=1S/C20H22N2O5S/c1-12-13(9-7-10-15(12)22(25)26)18(23)21-19-17(20(24)27-2)14-8-5-3-4-6-11-16(14)28-19/h7,9-10H,3-6,8,11H2,1-2H3,(H,21,23)
InChIKey ZKZRWFLGIXECDG-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C20H22N2O5S
Exact Mass 402.124943 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 2IkV4I3NvNd
Name methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[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/C20H22N2O5S/c1-12-13(9-7-10-15(12)22(25)26)18(23)21-19-17(20(24)27-2)14-8-5-3-4-6-11-16(14)28-19/h7,9-10H,3-6,8,11H2,1-2H3,(H,21,23)
InChIKey ZKZRWFLGIXECDG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19800
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/9127392; Labnumber: U_AM_ACK/016373; UZI_ID: UZI-019808
Temperature 318 °C