4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenoxy]-3-nitrobenzonitrile

SpectraBase Compound ID	5UOn5iUDajM
InChI	InChI=1S/C21H17N3O5/c22-12-13-5-10-19(18(11-13)24(27)28)29-15-8-6-14(7-9-15)23-20(25)16-3-1-2-4-17(16)21(23)26/h5-11,16-17H,1-4H2
InChIKey	PWOLCELAAVSXLD-UHFFFAOYSA-N Google Search
Mol Weight	391.38 g/mol
Molecular Formula	C21H17N3O5
Exact Mass	391.116821 g/mol

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SpectraBase Spectrum ID	F0x5owYu7lv
Name	4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenoxy]-3-nitrobenzonitrile
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/C21H17N3O5/c22-12-13-5-10-19(18(11-13)24(27)28)29-15-8-6-14(7-9-15)23-20(25)16-3-1-2-4-17(16)21(23)26/h5-11,16-17H,1-4H2
InChIKey	PWOLCELAAVSXLD-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_807
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: /VSVE0061744; UBI_ID: UBI-000808
Temperature	308 °C