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6-amino-4-(2-chlorophenyl)-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID D12s6WPzK8c
InChI InChI=1S/C21H17ClN4OS/c1-12-6-8-13(9-7-12)28-11-17-19-18(14-4-2-3-5-16(14)22)15(10-23)20(24)27-21(19)26-25-17/h2-9,18H,11,24H2,1H3,(H,25,26)
InChIKey DXFTZLCHGXKVDZ-UHFFFAOYSA-N
Mol Weight 408.91 g/mol
Molecular Formula C21H17ClN4OS
Exact Mass 408.08116 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6isBDEW9NoK
Name 6-amino-4-(2-chlorophenyl)-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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/C21H17ClN4OS/c1-12-6-8-13(9-7-12)28-11-17-19-18(14-4-2-3-5-16(14)22)15(10-23)20(24)27-21(19)26-25-17/h2-9,18H,11,24H2,1H3,(H,25,26)
InChIKey DXFTZLCHGXKVDZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9930
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: 132542; Labnumber: SHES1-093; VK_ID: VK-009934
Temperature 318 °C