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

SpectraBase Compound ID	8amalK8wrt2
InChI	InChI=1S/C17H16N4O3/c1-10-12(9-20(2)18-10)14-13-15(24-19-14)17(23)21(16(13)22)8-11-6-4-3-5-7-11/h3-7,9,13,15H,8H2,1-2H3
InChIKey	APBMGWJHCNYEHN-UHFFFAOYSA-N Google Search
Mol Weight	324.34 g/mol
Molecular Formula	C17H16N4O3
Exact Mass	324.12224 g/mol

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SpectraBase Spectrum ID	6VOUuFSVKEK
Name	3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(1,3-dimethyl-1H-pyrazol-4-yl)-5-(phenylmethyl)-, (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/C17H16N4O3/c1-10-12(9-20(2)18-10)14-13-15(24-19-14)17(23)21(16(13)22)8-11-6-4-3-5-7-11/h3-7,9,13,15H,8H2,1-2H3
InChIKey	APBMGWJHCNYEHN-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9689
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: F36133; Labnumber: NNA-V-27275