3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(3-bromophenyl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-, (3aS,6aR)-

SpectraBase Compound ID	HKHtQ6PkRmg
InChI	InChI=1S/C16H13BrN4O3/c1-8-11(7-20(2)18-8)13-12-14(24-19-13)16(23)21(15(12)22)10-5-3-4-9(17)6-10/h3-7,12,14H,1-2H3
InChIKey	ANAZOUPTQDZTJB-UHFFFAOYSA-N Google Search
Mol Weight	389.21 g/mol
Molecular Formula	C16H13BrN4O3
Exact Mass	388.017103 g/mol

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SpectraBase Spectrum ID	zjptkAaeXE
Name	3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(3-bromophenyl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-, (3aS,6aR)-
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/C16H13BrN4O3/c1-8-11(7-20(2)18-8)13-12-14(24-19-13)16(23)21(15(12)22)10-5-3-4-9(17)6-10/h3-7,12,14H,1-2H3
InChIKey	ANAZOUPTQDZTJB-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9688
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: F36131; Labnumber: NNA-V-27272