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6-amino-4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 8A8azPwKlkP
InChI InChI=1S/C21H16BrFN4O2/c1-11-18-19(16(9-24)20(25)29-21(18)27-26-11)15-8-13(22)5-6-17(15)28-10-12-3-2-4-14(23)7-12/h2-8,19H,10,25H2,1H3,(H,26,27)
InChIKey MLGFESTVUUGUED-UHFFFAOYSA-N
Mol Weight 455.29 g/mol
Molecular Formula C21H16BrFN4O2
Exact Mass 454.044067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HETKwn5uim2
Name 6-amino-4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-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/C21H16BrFN4O2/c1-11-18-19(16(9-24)20(25)29-21(18)27-26-11)15-8-13(22)5-6-17(15)28-10-12-3-2-4-14(23)7-12/h2-8,19H,10,25H2,1H3,(H,26,27)
InChIKey MLGFESTVUUGUED-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18309
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/1031251; Labnumber: TSI4119; UZI_ID: UZI-018316
Temperature 318 °C