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

SpectraBase Compound ID	8Wee15hSvjb
InChI	InChI=1S/C18H18N4O3/c1-4-11-5-7-12(8-6-11)22-17(23)14-15(20-25-16(14)18(22)24)13-9-21(3)19-10(13)2/h5-9,14,16H,4H2,1-3H3
InChIKey	NPNLRLZERQETBG-UHFFFAOYSA-N Google Search
Mol Weight	338.37 g/mol
Molecular Formula	C18H18N4O3
Exact Mass	338.13789 g/mol

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SpectraBase Spectrum ID	A2w4pqRLbkZ
Name	3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(1,3-dimethyl-1H-pyrazol-4-yl)-5-(4-ethylphenyl)-, (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/C18H18N4O3/c1-4-11-5-7-12(8-6-11)22-17(23)14-15(20-25-16(14)18(22)24)13-9-21(3)19-10(13)2/h5-9,14,16H,4H2,1-3H3
InChIKey	NPNLRLZERQETBG-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9692
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: F36138; Labnumber: NNA-V-27295