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piperidinium, 1-[2-[5-[(2-ethoxy-2-oxoethyl)thio][1,2,4]triazolo[4,3-c]quinazolin-3-yl]ethyl]-, chloride
SpectraBase Compound ID Amj9gdfI1Uw
InChI InChI=1S/C20H25N5O2S.ClH/c1-2-27-18(26)14-28-20-21-16-9-5-4-8-15(16)19-23-22-17(25(19)20)10-13-24-11-6-3-7-12-24;/h4-5,8-9H,2-3,6-7,10-14H2,1H3;1H
InChIKey OUJLPYKSUUTJPV-UHFFFAOYSA-N
Mol Weight 435.97 g/mol
Molecular Formula C20H26ClN5O2S
Exact Mass 435.149574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AyJpWroRyhB
Name piperidinium, 1-[2-[5-[(2-ethoxy-2-oxoethyl)thio][1,2,4]triazolo[4,3-c]quinazolin-3-yl]ethyl]-, chloride
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/C20H25N5O2S.ClH/c1-2-27-18(26)14-28-20-21-16-9-5-4-8-15(16)19-23-22-17(25(19)20)10-13-24-11-6-3-7-12-24;/h4-5,8-9H,2-3,6-7,10-14H2,1H3;1H
InChIKey OUJLPYKSUUTJPV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6226
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/11308560