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

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(3aR,6aS)-5-(4-chloro-3-nitrophenyl)-3-(4-fluorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID JbgKwOtW7by
InChI InChI=1S/C17H9ClFN3O5/c18-11-6-5-10(7-12(11)22(25)26)21-16(23)13-14(20-27-15(13)17(21)24)8-1-3-9(19)4-2-8/h1-7,13,15H
InChIKey CLZVPFLJJJAYNG-UHFFFAOYSA-N
Mol Weight 389.73 g/mol
Molecular Formula C17H9ClFN3O5
Exact Mass 389.021476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6TOtcdex00S
Name (3aR,6aS)-5-(4-chloro-3-nitrophenyl)-3-(4-fluorophenyl)-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/C17H9ClFN3O5/c18-11-6-5-10(7-12(11)22(25)26)21-16(23)13-14(20-27-15(13)17(21)24)8-1-3-9(19)4-2-8/h1-7,13,15H
InChIKey CLZVPFLJJJAYNG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27339
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: D76112; Labnumber: SC_0037-0195; SBI_ID: SBI-027343
Temperature 315 °C