{[(4S)-4-amino-5-(4-nitroanilino)-5-oxopentyl]amino}(2,2-dioxido-2lambda~1~-diazanyl)methaniminium bromide

SpectraBase Compound ID	Br64taSdSfh
InChI	InChI=1S/C12H17N7O5.BrH/c13-10(2-1-7-15-12(14)17-19(23)24)11(20)16-8-3-5-9(6-4-8)18(21)22;/h3-6,10H,1-2,7,13H2,(H,16,20)(H3,14,15,17);1H
InChIKey	VLIUCLVWDVXVTH-UHFFFAOYSA-N Google Search
Mol Weight	420.22 g/mol
Molecular Formula	C12H18BrN7O5
Exact Mass	419.05528 g/mol

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SpectraBase Spectrum ID	1LmHe1ED7i5
Name	{[(4S)-4-amino-5-(4-nitroanilino)-5-oxopentyl]amino}(2,2-dioxido-2lambda~1~-diazanyl)methaniminium bromide
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/C12H17N7O5.BrH/c13-10(2-1-7-15-12(14)17-19(23)24)11(20)16-8-3-5-9(6-4-8)18(21)22;/h3-6,10H,1-2,7,13H2,(H,16,20)(H3,14,15,17);1H
InChIKey	VLIUCLVWDVXVTH-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_18033
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: 987/00006609; Labnumber: 987/00006609218881; VK_ID: VK-018040
Synonyms	{[4-amino-5-(4-nitroanilino)-5-oxopentyl]amino}(2,2-dioxido-2lambda~1~-diazanyl)methaniminium bromide
Temperature	318 °C