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

*Links on SpectraBase are not permalinks.

propyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

propyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 8P5DpHLWaCc
InChI InChI=1S/C24H24ClFN2O4S/c1-3-12-31-24(30)19-14-8-5-4-6-11-17(14)33-23(19)27-22(29)18-13(2)32-28-21(18)20-15(25)9-7-10-16(20)26/h7,9-10H,3-6,8,11-12H2,1-2H3,(H,27,29)
InChIKey LLKUJCWMVBRMMP-UHFFFAOYSA-N
Mol Weight 490.98 g/mol
Molecular Formula C24H24ClFN2O4S
Exact Mass 490.112934 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 KhEW78DEsHB
Name propyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}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/C24H24ClFN2O4S/c1-3-12-31-24(30)19-14-8-5-4-6-11-17(14)33-23(19)27-22(29)18-13(2)32-28-21(18)20-15(25)9-7-10-16(20)26/h7,9-10H,3-6,8,11-12H2,1-2H3,(H,27,29)
InChIKey LLKUJCWMVBRMMP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19795
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/9133171; Labnumber: U_AM_ACK/015781; UZI_ID: UZI-019803
Temperature 318 °C