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ethyl 5-(4-nitrophenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
SpectraBase Compound ID L4qqyDGAEmU
InChI InChI=1S/C14H11N5O7/c1-2-26-14(22)10-9-11(18(15-10)16-23)13(21)17(12(9)20)7-3-5-8(6-4-7)19(24)25/h3-6,9,11H,2H2,1H3
InChIKey CQOUUWHVVWVIEL-UHFFFAOYSA-N
Mol Weight 361.27 g/mol
Molecular Formula C14H11N5O7
Exact Mass 361.065848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4sbH9vADRND
Name ethyl 5-(4-nitrophenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
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/C14H11N5O7/c1-2-26-14(22)10-9-11(18(15-10)16-23)13(21)17(12(9)20)7-3-5-8(6-4-7)19(24)25/h3-6,9,11H,2H2,1H3
InChIKey CQOUUWHVVWVIEL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2701
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: D04432; Labnumber: MOL-2380; SBI_ID: SBI-002703
Temperature 318 °C