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isopropyl 2-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 5vAGxqlHvvj
InChI InChI=1S/C23H24N4O5S/c1-14(2)32-23(29)20-16-10-6-7-11-18(16)33-22(20)24-21(28)17-12-19(27(30)31)25-26(17)13-15-8-4-3-5-9-15/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,24,28)
InChIKey LJWYEULLQVRKGW-UHFFFAOYSA-N
Mol Weight 468.53 g/mol
Molecular Formula C23H24N4O5S
Exact Mass 468.146741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bq2IDn6YihZ
Name isopropyl 2-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)carbonyl]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/C23H24N4O5S/c1-14(2)32-23(29)20-16-10-6-7-11-18(16)33-22(20)24-21(28)17-12-19(27(30)31)25-26(17)13-15-8-4-3-5-9-15/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,24,28)
InChIKey LJWYEULLQVRKGW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10519
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/9058431; Labnumber: KOL85-0359; UZI_ID: UZI-010521
Temperature 315 °C