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5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-2-furamide
SpectraBase Compound ID 6S2n4fk7Isu
InChI InChI=1S/C23H27ClN4O4S/c1-16-22(24)17(2)28(26-16)15-19-9-12-21(32-19)23(29)25-18-7-10-20(11-8-18)33(30,31)27-13-5-3-4-6-14-27/h7-12H,3-6,13-15H2,1-2H3,(H,25,29)
InChIKey TTXGPRAPKWCAAI-UHFFFAOYSA-N
Mol Weight 491.01 g/mol
Molecular Formula C23H27ClN4O4S
Exact Mass 490.144154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6hYYbFL00IX
Name 5-[(4-chloro-3,5-dimethyl-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/C23H27ClN4O4S/c1-16-22(24)17(2)28(26-16)15-19-9-12-21(32-19)23(29)25-18-7-10-20(11-8-18)33(30,31)27-13-5-3-4-6-14-27/h7-12H,3-6,13-15H2,1-2H3,(H,25,29)
InChIKey TTXGPRAPKWCAAI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20425
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/9164642; UBI_ID: UBI-020429
Temperature 308 °C