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1-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide

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1-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID B9ng7LIO5Tk
InChI InChI=1S/C22H23N5O3S/c1-12-2-3-16-18(4-12)31-21(23-16)24-20(28)19-17(27(29)30)11-26(25-19)22-8-13-5-14(9-22)7-15(6-13)10-22/h2-4,11,13-15H,5-10H2,1H3,(H,23,24,28)
InChIKey PMBHTTNTQPXALO-UHFFFAOYSA-N
Mol Weight 437.52 g/mol
Molecular Formula C22H23N5O3S
Exact Mass 437.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D2eQQFfv1WJ
Name 1-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-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/C22H23N5O3S/c1-12-2-3-16-18(4-12)31-21(23-16)24-20(28)19-17(27(29)30)11-26(25-19)22-8-13-5-14(9-22)7-15(6-13)10-22/h2-4,11,13-15H,5-10H2,1H3,(H,23,24,28)
InChIKey PMBHTTNTQPXALO-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3859
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/9162755; Labnumber: BAC_UAMK/019738; UZI_ID: UZI-003861
Temperature 313 °C