4-(2-((4R,7S)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)ethyl)piperazin-1-ium dichloride

SpectraBase Compound ID	61Ezk0v0fYr
InChI	InChI=1S/C15H21N3O2.2ClH/c19-14-12-10-1-2-11(9-10)13(12)15(20)18(14)8-7-17-5-3-16-4-6-17;;/h1-2,10-13,16H,3-9H2;2*1H/p-1/t10-,11+,12?,13?;;
InChIKey	UIJYMLDYSRZPGY-SPACVZFVSA-M Google Search
Mol Weight	347.27 g/mol
Molecular Formula	C15H22Cl2N3O2
Exact Mass	346.108907 g/mol

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SpectraBase Spectrum ID	9a0YY8aB4Af
Name	4-(2-((4R,7S)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)ethyl)piperazin-1-ium dichloride
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/C15H21N3O2.2ClH/c19-14-12-10-1-2-11(9-10)13(12)15(20)18(14)8-7-17-5-3-16-4-6-17;;/h1-2,10-13,16H,3-9H2;2*1H/p-1/t10-,11+,12?,13?;;
InChIKey	UIJYMLDYSRZPGY-SPACVZFVSA-M
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6552
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: NMR/11261402; Labnumber: LP-2111033; IOH_ID: IOH-006553