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(3aR,6aS)-3-(4-fluorophenyl)-5-(4-methyl-3-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID 6pXj6XQi9J3
InChI InChI=1S/C18H12FN3O5/c1-9-2-7-12(8-13(9)22(25)26)21-17(23)14-15(20-27-16(14)18(21)24)10-3-5-11(19)6-4-10/h2-8,14,16H,1H3
InChIKey BKCHBGKVJZTYME-UHFFFAOYSA-N
Mol Weight 369.31 g/mol
Molecular Formula C18H12FN3O5
Exact Mass 369.076099 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LBiAcCdMk36
Name (3aR,6aS)-3-(4-fluorophenyl)-5-(4-methyl-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/C18H12FN3O5/c1-9-2-7-12(8-13(9)22(25)26)21-17(23)14-15(20-27-16(14)18(21)24)10-3-5-11(19)6-4-10/h2-8,14,16H,1H3
InChIKey BKCHBGKVJZTYME-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27333
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: D76103; Labnumber: SC_0037-0186; SBI_ID: SBI-027337
Temperature 315 °C