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N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furamide
SpectraBase Compound ID 6MHdYG50HP1
InChI InChI=1S/C21H23N5O6S/c27-21(20-10-7-18(32-20)15-24-14-17(13-22-24)26(28)29)23-16-5-8-19(9-6-16)33(30,31)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12,15H2,(H,23,27)
InChIKey NXQVXKWVKBCPGA-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C21H23N5O6S
Exact Mass 473.136905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 22bmDmDuqqV
Name N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furamide
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/C21H23N5O6S/c27-21(20-10-7-18(32-20)15-24-14-17(13-22-24)26(28)29)23-16-5-8-19(9-6-16)33(30,31)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12,15H2,(H,23,27)
InChIKey NXQVXKWVKBCPGA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20107
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/9157968; UBI_ID: UBI-020111
Temperature 308 °C