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

SpectraBase Compound ID	707JJgiXfLG
InChI	InChI=1S/C17H9BrClFN2O3/c18-9-3-1-8(2-4-9)14-13-15(25-21-14)17(24)22(16(13)23)10-5-6-12(20)11(19)7-10/h1-7,13,15H
InChIKey	IPOZLQDLACFQCJ-UHFFFAOYSA-N Google Search
Mol Weight	423.63 g/mol
Molecular Formula	C17H9BrClFN2O3
Exact Mass	421.946911 g/mol

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SpectraBase Spectrum ID	H8vrVgNh7av
Name	(3aR,6aS)-3-(4-bromophenyl)-5-(3-chloro-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/C17H9BrClFN2O3/c18-9-3-1-8(2-4-9)14-13-15(25-21-14)17(24)22(16(13)23)10-5-6-12(20)11(19)7-10/h1-7,13,15H
InChIKey	IPOZLQDLACFQCJ-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16320
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: D23219; Labnumber: NNA05-376; SBI_ID: SBI-016323
Temperature	318 °C