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5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-2-furamide
SpectraBase Compound ID 93oT7rsqZxN
InChI InChI=1S/C21H23ClN4O4S/c22-16-13-23-25(14-16)15-18-7-10-20(30-18)21(27)24-17-5-8-19(9-6-17)31(28,29)26-11-3-1-2-4-12-26/h5-10,13-14H,1-4,11-12,15H2,(H,24,27)
InChIKey XFAYZSZPQXEXAX-UHFFFAOYSA-N
Mol Weight 462.95 g/mol
Molecular Formula C21H23ClN4O4S
Exact Mass 462.112854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AivGlzvtLuX
Name 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-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/C21H23ClN4O4S/c22-16-13-23-25(14-16)15-18-7-10-20(30-18)21(27)24-17-5-8-19(9-6-17)31(28,29)26-11-3-1-2-4-12-26/h5-10,13-14H,1-4,11-12,15H2,(H,24,27)
InChIKey XFAYZSZPQXEXAX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19151
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/9136413; UBI_ID: UBI-019154
Temperature 318 °C