3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 4-nitrobenzoate

SpectraBase Compound ID	K1PBN2ZgB2E
InChI	InChI=1S/C22H18N2O6/c25-20-18-13-4-5-14(10-13)19(18)21(26)23(20)16-2-1-3-17(11-16)30-22(27)12-6-8-15(9-7-12)24(28)29/h1-3,6-9,11,13-14,18-19H,4-5,10H2
InChIKey	GJCVLNBCDWBENC-UHFFFAOYSA-N Google Search
Mol Weight	406.39 g/mol
Molecular Formula	C22H18N2O6
Exact Mass	406.116486 g/mol

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SpectraBase Spectrum ID	2XMRe2JmDN2
Name	3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 4-nitrobenzoate
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/C22H18N2O6/c25-20-18-13-4-5-14(10-13)19(18)21(26)23(20)16-2-1-3-17(11-16)30-22(27)12-6-8-15(9-7-12)24(28)29/h1-3,6-9,11,13-14,18-19H,4-5,10H2
InChIKey	GJCVLNBCDWBENC-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_467
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: /VSVE0061761; UBI_ID: UBI-000468
Temperature	308 °C