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6-tert-butyl-2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID JfxadFxuDmO
InChI InChI=1S/C19H25N5O4S/c1-10-7-14(24(27)28)22-23(10)9-15(25)21-18-16(17(20)26)12-6-5-11(19(2,3)4)8-13(12)29-18/h7,11H,5-6,8-9H2,1-4H3,(H2,20,26)(H,21,25)
InChIKey PRSGHGJPXZJJBT-UHFFFAOYSA-N
Mol Weight 419.5 g/mol
Molecular Formula C19H25N5O4S
Exact Mass 419.162725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2jZr7myk6HK
Name 6-tert-butyl-2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-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/C19H25N5O4S/c1-10-7-14(24(27)28)22-23(10)9-15(25)21-18-16(17(20)26)12-6-5-11(19(2,3)4)8-13(12)29-18/h7,11H,5-6,8-9H2,1-4H3,(H2,20,26)(H,21,25)
InChIKey PRSGHGJPXZJJBT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2525
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/8053829; UBI_ID: UBI-002526
Temperature 318 °C