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2-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID Er1sC4F7mhP
InChI InChI=1S/C21H23N5O5S/c1-11-18(26(29)30)12(2)25(24-11)10-13-8-9-15(31-13)20(28)23-21-17(19(22)27)14-6-4-3-5-7-16(14)32-21/h8-9H,3-7,10H2,1-2H3,(H2,22,27)(H,23,28)
InChIKey CNBCIJPKRQRHQW-UHFFFAOYSA-N
Mol Weight 457.51 g/mol
Molecular Formula C21H23N5O5S
Exact Mass 457.14199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KIbE6KQkd4d
Name 2-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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/C21H23N5O5S/c1-11-18(26(29)30)12(2)25(24-11)10-13-8-9-15(31-13)20(28)23-21-17(19(22)27)14-6-4-3-5-7-16(14)32-21/h8-9H,3-7,10H2,1-2H3,(H2,22,27)(H,23,28)
InChIKey CNBCIJPKRQRHQW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4736
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/8131016; UBI_ID: UBI-004737
Temperature 313 °C