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3-chloro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
SpectraBase Compound ID CpZYjqE42W
InChI InChI=1S/C16H16ClN3OS/c1-9-12(10(2)20(3)19-9)8-18-16(21)15-14(17)11-6-4-5-7-13(11)22-15/h4-7H,8H2,1-3H3,(H,18,21)
InChIKey VXSAYUQOTNYUQZ-UHFFFAOYSA-N
Mol Weight 333.84 g/mol
Molecular Formula C16H16ClN3OS
Exact Mass 333.070261 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EVXds9soFke
Name 3-chloro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-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/C16H16ClN3OS/c1-9-12(10(2)20(3)19-9)8-18-16(21)15-14(17)11-6-4-5-7-13(11)22-15/h4-7H,8H2,1-3H3,(H,18,21)
InChIKey VXSAYUQOTNYUQZ-UHFFFAOYSA-N
NMR Offset 18.9247
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2170
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: 9159462; UBI_ID: UBI-002171
Temperature 313 °C