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methyl 2-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID IrdelBcAkkE
InChI InChI=1S/C22H22N4O5S/c1-31-22(28)19-15-10-6-3-7-11-17(15)32-21(19)23-20(27)16-12-18(26(29)30)24-25(16)13-14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,23,27)
InChIKey HUFBNKFDFCSYKP-UHFFFAOYSA-N
Mol Weight 454.5 g/mol
Molecular Formula C22H22N4O5S
Exact Mass 454.131091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AM8NF9ULUh5
Name methyl 2-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)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/C22H22N4O5S/c1-31-22(28)19-15-10-6-3-7-11-17(15)32-21(19)23-20(27)16-12-18(26(29)30)24-25(16)13-14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,23,27)
InChIKey HUFBNKFDFCSYKP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10522
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/9051773; Labnumber: KOL85-0399; UZI_ID: UZI-010524
Temperature 315 °C