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N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
SpectraBase Compound ID 997SFB6zsCG
InChI InChI=1S/C19H15N5O5S2/c1-31(28,29)15-6-7-16-17(8-15)30-19(21-16)22-18(25)13-4-2-12(3-5-13)10-23-11-14(9-20-23)24(26)27/h2-9,11H,10H2,1H3,(H,21,22,25)
InChIKey CKNVPEUYWNJBNW-UHFFFAOYSA-N
Mol Weight 457.48 g/mol
Molecular Formula C19H15N5O5S2
Exact Mass 457.051461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IZkULc9Ek3r
Name N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
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/C19H15N5O5S2/c1-31(28,29)15-6-7-16-17(8-15)30-19(21-16)22-18(25)13-4-2-12(3-5-13)10-23-11-14(9-20-23)24(26)27/h2-9,11H,10H2,1H3,(H,21,22,25)
InChIKey CKNVPEUYWNJBNW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20137
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/9158455; UBI_ID: UBI-020141
Temperature 308 °C