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2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID CNrwwvShCLD
InChI InChI=1S/C19H24BrN5O4S/c1-9-15(20)17(25(28)29)23-24(9)8-13(26)22-18-14(16(21)27)11-6-5-10(19(2,3)4)7-12(11)30-18/h10H,5-8H2,1-4H3,(H2,21,27)(H,22,26)
InChIKey GMOAYYRGZSRGLR-UHFFFAOYSA-N
Mol Weight 498.4 g/mol
Molecular Formula C19H24BrN5O4S
Exact Mass 497.073238 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DZHrHt24N3J
Name 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-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/C19H24BrN5O4S/c1-9-15(20)17(25(28)29)23-24(9)8-13(26)22-18-14(16(21)27)11-6-5-10(19(2,3)4)7-12(11)30-18/h10H,5-8H2,1-4H3,(H2,21,27)(H,22,26)
InChIKey GMOAYYRGZSRGLR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15995
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/8059049; UBI_ID: UBI-015998
Temperature 308 °C