(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 Google Search
Mol Weight	369.31 g/mol
Molecular Formula	C18H12FN3O5
Exact Mass	369.076099 g/mol

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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