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[1,2,5]oxadiazolo[3,4-d]pyrimidin-7(6H)-one, O-[(4-methoxy-3-nitrophenyl)methyl]oxime, (7E)-
SpectraBase Compound ID 246Ia9xHbUA
InChI InChI=1S/C12H10N6O5/c1-21-9-3-2-7(4-8(9)18(19)20)5-22-16-11-10-12(14-6-13-11)17-23-15-10/h2-4,6H,5H2,1H3,(H,13,14,16,17)
InChIKey HUMKUXBAFMLQRG-UHFFFAOYSA-N
Mol Weight 318.25 g/mol
Molecular Formula C12H10N6O5
Exact Mass 318.071267 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID rrpdmHrq3F
Name [1,2,5]oxadiazolo[3,4-d]pyrimidin-7(6H)-one, O-[(4-methoxy-3-nitrophenyl)methyl]oxime, (7E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.071267441 u
Formula C12H10N6O5
InChI InChI=1S/C12H10N6O5/c1-21-9-3-2-7(4-8(9)18(19)20)5-22-16-11-10-12(14-6-13-11)17-23-15-10/h2-4,6H,5H2,1H3,(H,13,14,16,17)
InChIKey HUMKUXBAFMLQRG-UHFFFAOYSA-N
Molecular Weight 318.249 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_506
Solvent DMSO-d6
Source Vendor ID: ZI/8078619; Lab Info: CEP; Lab Number: CEP-0000039
Temperature 29.85 °C