benzoic acid, 2-[3a,4,6,6a-tetrahydro-3-(4-methylphenyl)-4,6-dioxo-5H-pyrrolo[3,4-d]isoxazol-5-yl]-, methyl ester

SpectraBase Compound ID	1qztGJY2Ojd
InChI	InChI=1S/C20H16N2O5/c1-11-7-9-12(10-8-11)16-15-17(27-21-16)19(24)22(18(15)23)14-6-4-3-5-13(14)20(25)26-2/h3-10,15,17H,1-2H3
InChIKey	YIDOIDLIGUYRFT-UHFFFAOYSA-N Google Search
Mol Weight	364.36 g/mol
Molecular Formula	C20H16N2O5
Exact Mass	364.105922 g/mol

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SpectraBase Spectrum ID	EqotSsExA4W
Name	benzoic acid, 2-[3a,4,6,6a-tetrahydro-3-(4-methylphenyl)-4,6-dioxo-5H-pyrrolo[3,4-d]isoxazol-5-yl]-, methyl ester
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/C20H16N2O5/c1-11-7-9-12(10-8-11)16-15-17(27-21-16)19(24)22(18(15)23)14-6-4-3-5-13(14)20(25)26-2/h3-10,15,17H,1-2H3
InChIKey	YIDOIDLIGUYRFT-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_7819
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: F31157; Labnumber: NNN-Z57563