8-[(4-methoxybenzyl)amino]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	JtjY8KZDuqg
InChI	InChI=1S/C22H31N5O3/c1-4-5-6-7-8-9-14-27-18-19(26(2)22(29)25-20(18)28)24-21(27)23-15-16-10-12-17(30-3)13-11-16/h10-13H,4-9,14-15H2,1-3H3,(H,23,24)(H,25,28,29)
InChIKey	SMHBKKUVDJPZOQ-UHFFFAOYSA-N Google Search
Mol Weight	413.52 g/mol
Molecular Formula	C22H31N5O3
Exact Mass	413.24269 g/mol

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SpectraBase Spectrum ID	91ezcTuwY7u
Name	8-[(4-methoxybenzyl)amino]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
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/C22H31N5O3/c1-4-5-6-7-8-9-14-27-18-19(26(2)22(29)25-20(18)28)24-21(27)23-15-16-10-12-17(30-3)13-11-16/h10-13H,4-9,14-15H2,1-3H3,(H,23,24)(H,25,28,29)
InChIKey	SMHBKKUVDJPZOQ-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_8900
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: D38776; Labnumber: UZ01F011-2428; SBI_ID: SBI-008903
Temperature	308 °C