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4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-7-methyl-4-(2-nitrophenyl)-5-oxo-, (4S)-
SpectraBase Compound ID LmM4tL1MejB
InChI InChI=1S/C16H11N3O5/c1-8-6-12-14(16(20)23-8)13(10(7-17)15(18)24-12)9-4-2-3-5-11(9)19(21)22/h2-6,13H,18H2,1H3
InChIKey CPSDTXIIGFORNL-UHFFFAOYSA-N
Mol Weight 325.28 g/mol
Molecular Formula C16H11N3O5
Exact Mass 325.06987 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BDjb6iUreJ1
Name 4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-7-methyl-4-(2-nitrophenyl)-5-oxo-, (4S)-
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/C16H11N3O5/c1-8-6-12-14(16(20)23-8)13(10(7-17)15(18)24-12)9-4-2-3-5-11(9)19(21)22/h2-6,13H,18H2,1H3
InChIKey CPSDTXIIGFORNL-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2804
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: NMR/10218399