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(3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID 2vfINPMXdq1
InChI InChI=1S/C18H12ClN3O6/c1-27-13-7-6-9(22(25)26)8-12(13)21-17(23)14-15(20-28-16(14)18(21)24)10-4-2-3-5-11(10)19/h2-8,14,16H,1H3
InChIKey SZRKLXYKGLFIIP-UHFFFAOYSA-N
Mol Weight 401.76 g/mol
Molecular Formula C18H12ClN3O6
Exact Mass 401.041463 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9TYmye9B3E5
Name (3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-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/C18H12ClN3O6/c1-27-13-7-6-9(22(25)26)8-12(13)21-17(23)14-15(20-28-16(14)18(21)24)10-4-2-3-5-11(10)19/h2-8,14,16H,1H3
InChIKey SZRKLXYKGLFIIP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27325
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: D76092; Labnumber: SC_0037-0173; SBI_ID: SBI-027329
Temperature 315 °C