5-[1-(3-chloro-4-methylphenyl)-1H-tetraazol-5-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline

SpectraBase Compound ID	3mqtRa9WwzF
InChI	InChI=1S/C20H20ClN5O3/c1-11-4-5-13(9-14(11)21)26-20(22-23-24-26)17-16-12(6-7-25(17)2)8-15-18(19(16)27-3)29-10-28-15/h4-5,8-9,17H,6-7,10H2,1-3H3
InChIKey	HFZLLQUFBYPWDW-UHFFFAOYSA-N Google Search
Mol Weight	413.87 g/mol
Molecular Formula	C20H20ClN5O3
Exact Mass	413.125467 g/mol

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SpectraBase Spectrum ID	9sOnuzPh9Lx
Name	5-[1-(3-chloro-4-methylphenyl)-1H-tetraazol-5-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
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/C20H20ClN5O3/c1-11-4-5-13(9-14(11)21)26-20(22-23-24-26)17-16-12(6-7-25(17)2)8-15-18(19(16)27-3)29-10-28-15/h4-5,8-9,17H,6-7,10H2,1-3H3
InChIKey	HFZLLQUFBYPWDW-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13806
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: D90354; Labnumber: POLYAKOV-355; SBI_ID: SBI-013809
Synonyms	5-[1-(3-chloro-4-methylphenyl)-1H-tetraazol-5-yl]-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-4-yl methyl ether
Temperature	318 °C