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isopropyl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 7WXuiscS3Qa
InChI InChI=1S/C18H21BrN4O5S/c1-9(2)28-18(25)14-11-6-4-5-7-12(11)29-17(14)20-13(24)8-22-10(3)15(19)16(21-22)23(26)27/h9H,4-8H2,1-3H3,(H,20,24)
InChIKey CCQAGQNBMHRFKK-UHFFFAOYSA-N
Mol Weight 485.35 g/mol
Molecular Formula C18H21BrN4O5S
Exact Mass 484.041604 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2mrYJ5jyESp
Name isopropyl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]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/C18H21BrN4O5S/c1-9(2)28-18(25)14-11-6-4-5-7-12(11)29-17(14)20-13(24)8-22-10(3)15(19)16(21-22)23(26)27/h9H,4-8H2,1-3H3,(H,20,24)
InChIKey CCQAGQNBMHRFKK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15958
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/8056440; UBI_ID: UBI-015961
Temperature 308 °C