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N-[3-(aminocarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 2g5ky7jwyPp
InChI InChI=1S/C19H25N5O4S/c1-9-15(24(27)28)14(22-23(9)5)17(26)21-18-13(16(20)25)11-7-6-10(19(2,3)4)8-12(11)29-18/h10H,6-8H2,1-5H3,(H2,20,25)(H,21,26)
InChIKey ZTEFMFFIOCLEJB-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 CXBnkeYdvNa
Name N-[3-(aminocarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-1,5-dimethyl-4-nitro-1H-pyrazole-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/c1-9-15(24(27)28)14(22-23(9)5)17(26)21-18-13(16(20)25)11-7-6-10(19(2,3)4)8-12(11)29-18/h10H,6-8H2,1-5H3,(H2,20,25)(H,21,26)
InChIKey ZTEFMFFIOCLEJB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1034
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/1231111; Labnumber: AC-NHALL/0449765; UZI_ID: UZI-001036
Temperature 318 °C