1-piperazinecarboxylic acid, 4-[[1-(2-chloro-9H-purin-6-yl)-4-piperidinyl]carbonyl]-, ethyl ester

SpectraBase Compound ID	1gHdmYL25SF
InChI	InChI=1S/C18H24ClN7O3/c1-2-29-18(28)26-9-7-25(8-10-26)16(27)12-3-5-24(6-4-12)15-13-14(21-11-20-13)22-17(19)23-15/h11-12H,2-10H2,1H3,(H,20,21,22,23)
InChIKey	VLFMQFVKLKEKNU-UHFFFAOYSA-N Google Search
Mol Weight	421.89 g/mol
Molecular Formula	C18H24ClN7O3
Exact Mass	421.162915 g/mol

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SpectraBase Spectrum ID	70VRFn7SN7b
Name	1-piperazinecarboxylic acid, 4-[[1-(2-chloro-9H-purin-6-yl)-4-piperidinyl]carbonyl]-, ethyl ester
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/C18H24ClN7O3/c1-2-29-18(28)26-9-7-25(8-10-26)16(27)12-3-5-24(6-4-12)15-13-14(21-11-20-13)22-17(19)23-15/h11-12H,2-10H2,1H3,(H,20,21,22,23)
InChIKey	VLFMQFVKLKEKNU-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_2982
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: F16440; Labnumber: ExLab-206132