(2E)-2-butenedioic acid compound with 2-(nitrooxy)-1-{[(6,7,8-trimethoxy-4-quinazolinyl)amino]methyl}ethyl nitrate (1:1)

SpectraBase Compound ID	Eht1h2Lm0l2
InChI	InChI=1S/C14H17N5O9.C4H4O4/c1-24-10-4-9-11(13(26-3)12(10)25-2)16-7-17-14(9)15-5-8(28-19(22)23)6-27-18(20)21;5-3(6)1-2-4(7)8/h4,7-8H,5-6H2,1-3H3,(H,15,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	XSBMXIUSLRDCPX-WLHGVMLRSA-N Google Search
Mol Weight	515.39 g/mol
Molecular Formula	C18H21N5O13
Exact Mass	515.113586 g/mol

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SpectraBase Spectrum ID	HF79dQcnPP
Name	(2E)-2-butenedioic acid compound with 2-(nitrooxy)-1-{[(6,7,8-trimethoxy-4-quinazolinyl)amino]methyl}ethyl nitrate (1:1)
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/C14H17N5O9.C4H4O4/c1-24-10-4-9-11(13(26-3)12(10)25-2)16-7-17-14(9)15-5-8(28-19(22)23)6-27-18(20)21;5-3(6)1-2-4(7)8/h4,7-8H,5-6H2,1-3H3,(H,15,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	XSBMXIUSLRDCPX-WLHGVMLRSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_15317
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: 987/00001747; Labnumber: 987/00001747218820; VK_ID: VK-015322
Synonyms	2-butenedioic acid compound with 2-(nitrooxy)-1-{[(6,7,8-trimethoxy-4-quinazolinyl)amino]methyl}ethyl nitrate (1:1)
Temperature	308 °C