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

*Links on SpectraBase are not permalinks.
isopropyl 2-{[(2E)-3-(2,6-dichlorophenyl)-2-propenoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 9LJ9ekGIh3R
InChI InChI=1S/C22H23Cl2NO3S/c1-13(2)28-22(27)20-15-7-4-3-5-10-18(15)29-21(20)25-19(26)12-11-14-16(23)8-6-9-17(14)24/h6,8-9,11-13H,3-5,7,10H2,1-2H3,(H,25,26)/b12-11+
InChIKey ZURKFFAXAOEDLV-VAWYXSNFSA-N
Mol Weight 452.4 g/mol
Molecular Formula C22H23Cl2NO3S
Exact Mass 451.07757 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 EBsem4VywAn
Name isopropyl 2-{[(2E)-3-(2,6-dichlorophenyl)-2-propenoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[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/C22H23Cl2NO3S/c1-13(2)28-22(27)20-15-7-4-3-5-10-18(15)29-21(20)25-19(26)12-11-14-16(23)8-6-9-17(14)24/h6,8-9,11-13H,3-5,7,10H2,1-2H3,(H,25,26)/b12-11+
InChIKey ZURKFFAXAOEDLV-VAWYXSNFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_14497
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/9084784; Labnumber: NSB0067368; UZI_ID: UZI-014501
Synonyms isopropyl 2-{[3-(2,6-dichlorophenyl)-2-propenoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 318 °C