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2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
SpectraBase Compound ID LMSPQAGsStE
InChI InChI=1S/C21H17N5O6/c1-11-5-17-19(21(27)31-11)18(15(7-22)20(23)32-17)12-3-4-16(30-2)13(6-12)9-25-10-14(8-24-25)26(28)29/h3-6,8,10,18H,9,23H2,1-2H3
InChIKey VGPORZABPUCFFS-UHFFFAOYSA-N
Mol Weight 435.4 g/mol
Molecular Formula C21H17N5O6
Exact Mass 435.117883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JjTuszEfxQ7
Name 2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-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/C21H17N5O6/c1-11-5-17-19(21(27)31-11)18(15(7-22)20(23)32-17)12-3-4-16(30-2)13(6-12)9-25-10-14(8-24-25)26(28)29/h3-6,8,10,18H,9,23H2,1-2H3
InChIKey VGPORZABPUCFFS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18418
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/9123066; UBI_ID: UBI-018421
Temperature 313 °C