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6-amino-4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID JoDmcEPUgtz
InChI InChI=1S/C20H17BrN4O2S/c1-10-17-18(13(8-22)19(23)27-20(17)25-24-10)16-7-12(11(2)28-16)9-26-15-6-4-3-5-14(15)21/h3-7,18H,9,23H2,1-2H3,(H,24,25)
InChIKey KUVPCXDWSPXLBL-UHFFFAOYSA-N
Mol Weight 457.35 g/mol
Molecular Formula C20H17BrN4O2S
Exact Mass 456.02556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HmaztTLyxXF
Name 6-amino-4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-3-methyl-1,4-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/C20H17BrN4O2S/c1-10-17-18(13(8-22)19(23)27-20(17)25-24-10)16-7-12(11(2)28-16)9-26-15-6-4-3-5-14(15)21/h3-7,18H,9,23H2,1-2H3,(H,24,25)
InChIKey KUVPCXDWSPXLBL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13167
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/1010173; UBI_ID: UBI-013170
Temperature 308 °C