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2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
SpectraBase Compound ID 4snQGh1xi3c
InChI InChI=1S/C16H16ClN5O3S/c1-8-3-4-10-11(6-18)16(26-12(10)5-8)19-13(23)7-21-9(2)14(17)15(20-21)22(24)25/h8H,3-5,7H2,1-2H3,(H,19,23)
InChIKey XPSZFJAUFZUCCG-UHFFFAOYSA-N
Mol Weight 393.85 g/mol
Molecular Formula C16H16ClN5O3S
Exact Mass 393.066238 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fj1WDsfKFM2
Name 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
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/C16H16ClN5O3S/c1-8-3-4-10-11(6-18)16(26-12(10)5-8)19-13(23)7-21-9(2)14(17)15(20-21)22(24)25/h8H,3-5,7H2,1-2H3,(H,19,23)
InChIKey XPSZFJAUFZUCCG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3695
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/8103370; UBI_ID: UBI-003696
Temperature 313 °C