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(3aR,6aS)-5-(4-bromophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID 1LLKnvsEYU1
InChI InChI=1S/C17H10BrN3O5/c18-10-4-6-11(7-5-10)20-16(22)13-14(19-26-15(13)17(20)23)9-2-1-3-12(8-9)21(24)25/h1-8,13,15H
InChIKey DWXNCTJRXPRHGS-UHFFFAOYSA-N
Mol Weight 416.19 g/mol
Molecular Formula C17H10BrN3O5
Exact Mass 414.980383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3MvyU85zV79
Name (3aR,6aS)-5-(4-bromophenyl)-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/C17H10BrN3O5/c18-10-4-6-11(7-5-10)20-16(22)13-14(19-26-15(13)17(20)23)9-2-1-3-12(8-9)21(24)25/h1-8,13,15H
InChIKey DWXNCTJRXPRHGS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6139
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: D13547; Labnumber: NNA-1197; SBI_ID: SBI-006142
Temperature 308 °C