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N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-4-iodo-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 2J1AaEYdz1H
InChI InChI=1S/C16H19IN4O3S/c17-14-11-18-20-15(14)16(22)19-12-5-7-13(8-6-12)25(23,24)21-9-3-1-2-4-10-21/h5-8,11H,1-4,9-10H2,(H,18,20)(H,19,22)
InChIKey WEHOTDAAORHVES-UHFFFAOYSA-N
Mol Weight 474.32 g/mol
Molecular Formula C16H19IN4O3S
Exact Mass 474.022257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hA8D7uN3c3
Name N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-4-iodo-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/C16H19IN4O3S/c17-14-11-18-20-15(14)16(22)19-12-5-7-13(8-6-12)25(23,24)21-9-3-1-2-4-10-21/h5-8,11H,1-4,9-10H2,(H,18,20)(H,19,22)
InChIKey WEHOTDAAORHVES-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18889
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/9130998; UBI_ID: UBI-018892
Temperature 308 °C