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(3aR,6aS)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

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(3aR,6aS)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID 9cNutztxkGA
InChI InChI=1S/C18H13N3O5/c1-10-5-7-12(8-6-10)20-17(22)14-15(19-26-16(14)18(20)23)11-3-2-4-13(9-11)21(24)25/h2-9,14,16H,1H3
InChIKey KDUOFNLMQJKNAU-UHFFFAOYSA-N
Mol Weight 351.32 g/mol
Molecular Formula C18H13N3O5
Exact Mass 351.085521 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LAfZ9f2Bqst
Name (3aR,6aS)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
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/C18H13N3O5/c1-10-5-7-12(8-6-10)20-17(22)14-15(19-26-16(14)18(20)23)11-3-2-4-13(9-11)21(24)25/h2-9,14,16H,1H3
InChIKey KDUOFNLMQJKNAU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6136
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: D13542; Labnumber: NNA-1188; SBI_ID: SBI-006139
Temperature 308 °C