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N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID EV3zSJyV4MT
InChI InChI=1S/C17H21IN4O3S/c1-21-12-15(18)16(20-21)17(23)19-13-6-8-14(9-7-13)26(24,25)22-10-4-2-3-5-11-22/h6-9,12H,2-5,10-11H2,1H3,(H,19,23)
InChIKey WWPMLGJPXYDONT-UHFFFAOYSA-N
Mol Weight 488.34 g/mol
Molecular Formula C17H21IN4O3S
Exact Mass 488.037907 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 15QJSmhvYHx
Name N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-4-iodo-1-methyl-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/C17H21IN4O3S/c1-21-12-15(18)16(20-21)17(23)19-13-6-8-14(9-7-13)26(24,25)22-10-4-2-3-5-11-22/h6-9,12H,2-5,10-11H2,1H3,(H,19,23)
InChIKey WWPMLGJPXYDONT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17696
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/9065745; UBI_ID: UBI-017699
Temperature 318 °C