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N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID BndPUMMAmyI
InChI InChI=1S/C16H19N5O5S/c22-16(15-14(21(23)24)11-17-19-15)18-12-5-7-13(8-6-12)27(25,26)20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10H2,(H,17,19)(H,18,22)
InChIKey MATCSRLEAPRIOE-UHFFFAOYSA-N
Mol Weight 393.42 g/mol
Molecular Formula C16H19N5O5S
Exact Mass 393.11069 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HjFJjzJxJTR
Name N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-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/C16H19N5O5S/c22-16(15-14(21(23)24)11-17-19-15)18-12-5-7-13(8-6-12)27(25,26)20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10H2,(H,17,19)(H,18,22)
InChIKey MATCSRLEAPRIOE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5586
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/9157722; Labnumber: B_AMK_AC/4113; UZI_ID: UZI-005588
Temperature 308 °C