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4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-
SpectraBase Compound ID Eqvg2apl0h7
InChI InChI=1S/C17H13N3O6/c18-6-9-15(16-11(21)2-1-3-12(16)26-17(9)19)8-4-13-14(25-7-24-13)5-10(8)20(22)23/h4-5,15H,1-3,7,19H2
InChIKey GSJKHNKSVZLEAQ-UHFFFAOYSA-N
Mol Weight 355.31 g/mol
Molecular Formula C17H13N3O6
Exact Mass 355.080435 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EfEsQ5Hnn9R
Name 4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.080435145 u
Formula C17H13N3O6
InChI InChI=1S/C17H13N3O6/c18-6-9-15(16-11(21)2-1-3-12(16)26-17(9)19)8-4-13-14(25-7-24-13)5-10(8)20(22)23/h4-5,15H,1-3,7,19H2
InChIKey GSJKHNKSVZLEAQ-UHFFFAOYSA-N
Molecular Weight 355.306 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5427
Solvent DMSO-d6
Source Vendor ID: NMR/9251074; Lab Info: L-19; Lab Number: L-19,Rozhkov