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isopropyl 2-({5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID En1xkzSlwGW
InChI InChI=1S/C21H22BrN3O4S/c1-12(2)28-21(27)18-15-5-3-4-6-17(15)30-20(18)24-19(26)16-8-7-14(29-16)11-25-10-13(22)9-23-25/h7-10,12H,3-6,11H2,1-2H3,(H,24,26)
InChIKey YTZHFMQTHDYPLY-UHFFFAOYSA-N
Mol Weight 492.39 g/mol
Molecular Formula C21H22BrN3O4S
Exact Mass 491.05144 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I5mFbdCXCtJ
Name isopropyl 2-({5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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/C21H22BrN3O4S/c1-12(2)28-21(27)18-15-5-3-4-6-17(15)30-20(18)24-19(26)16-8-7-14(29-16)11-25-10-13(22)9-23-25/h7-10,12H,3-6,11H2,1-2H3,(H,24,26)
InChIKey YTZHFMQTHDYPLY-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16614
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/1265050; Labnumber: OLG0982; UZI_ID: UZI-016618
Temperature 308 °C