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methyl 4-(6-amino-5-cyano-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate
SpectraBase Compound ID 6ByT2GAZM2s
InChI InChI=1S/C23H20N4O3S/c1-13-3-9-16(10-4-13)31-12-18-20-19(14-5-7-15(8-6-14)23(28)29-2)17(11-24)21(25)30-22(20)27-26-18/h3-10,19H,12,25H2,1-2H3,(H,26,27)
InChIKey ACVSYEASDKPVMR-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C23H20N4O3S
Exact Mass 432.125612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G9B62ela9vt
Name methyl 4-(6-amino-5-cyano-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoate
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/C23H20N4O3S/c1-13-3-9-16(10-4-13)31-12-18-20-19(14-5-7-15(8-6-14)23(28)29-2)17(11-24)21(25)30-22(20)27-26-18/h3-10,19H,12,25H2,1-2H3,(H,26,27)
InChIKey ACVSYEASDKPVMR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10498
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: 132577; Labnumber: SHES1-133; VK_ID: VK-010502
Temperature 308 °C