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

*Links on SpectraBase are not permalinks.
ethyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 8JTyCr2RIM7
InChI InChI=1S/C21H22ClN3O4S/c1-2-28-21(27)18-15-6-4-3-5-7-17(15)30-20(18)24-19(26)16-9-8-14(29-16)12-25-11-13(22)10-23-25/h8-11H,2-7,12H2,1H3,(H,24,26)
InChIKey OXIAKLAIGOIMLK-UHFFFAOYSA-N
Mol Weight 447.94 g/mol
Molecular Formula C21H22ClN3O4S
Exact Mass 447.101955 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 GyjJlWJTqVp
Name ethyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}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/C21H22ClN3O4S/c1-2-28-21(27)18-15-6-4-3-5-7-17(15)30-20(18)24-19(26)16-9-8-14(29-16)12-25-11-13(22)10-23-25/h8-11H,2-7,12H2,1H3,(H,24,26)
InChIKey OXIAKLAIGOIMLK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4434
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: 9680838; UBI_ID: UBI-004435
Temperature 318 °C