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(3aR,6aS)-3-(4-bromophenyl)-5-(5-methoxy-2-methyl-4-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID 56fQGNz5NM1
InChI InChI=1S/C19H14BrN3O6/c1-9-7-13(23(26)27)14(28-2)8-12(9)22-18(24)15-16(21-29-17(15)19(22)25)10-3-5-11(20)6-4-10/h3-8,15,17H,1-2H3
InChIKey VAOUZQHWGAIHCX-UHFFFAOYSA-N
Mol Weight 460.24 g/mol
Molecular Formula C19H14BrN3O6
Exact Mass 459.006598 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KEWRcwiSVZj
Name (3aR,6aS)-3-(4-bromophenyl)-5-(5-methoxy-2-methyl-4-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/C19H14BrN3O6/c1-9-7-13(23(26)27)14(28-2)8-12(9)22-18(24)15-16(21-29-17(15)19(22)25)10-3-5-11(20)6-4-10/h3-8,15,17H,1-2H3
InChIKey VAOUZQHWGAIHCX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16369
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: D23357; Labnumber: NNA05-508; SBI_ID: SBI-016372
Temperature 318 °C