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thiazolo[4,5-d]pyrimidine-3-propanaminium, 5-[[(2-chloro-6-fluorophenyl)methyl]thio]-6-(4-ethoxyphenyl)-N,N-diethyl-2,3,6,7-tetrahydro-7-oxo-2-thioxo-, chloride

View entire compound with spectra: 1 NMR

thiazolo[4,5-d]pyrimidine-3-propanaminium, 5-[[(2-chloro-6-fluorophenyl)methyl]thio]-6-(4-ethoxyphenyl)-N,N-diethyl-2,3,6,7-tetrahydro-7-oxo-2-thioxo-, chloride
SpectraBase Compound ID A2uqzN7CGX9
InChI InChI=1S/C27H30ClFN4O2S3.ClH/c1-4-31(5-2)15-8-16-32-24-23(38-27(32)36)25(34)33(18-11-13-19(14-12-18)35-6-3)26(30-24)37-17-20-21(28)9-7-10-22(20)29;/h7,9-14H,4-6,8,15-17H2,1-3H3;1H
InChIKey ZQVRCNFVGVXTQV-UHFFFAOYSA-N
Mol Weight 629.66 g/mol
Molecular Formula C27H31Cl2FN4O2S3
Exact Mass 628.097023 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CztY85vSq9L
Name thiazolo[4,5-d]pyrimidine-3-propanaminium, 5-[[(2-chloro-6-fluorophenyl)methyl]thio]-6-(4-ethoxyphenyl)-N,N-diethyl-2,3,6,7-tetrahydro-7-oxo-2-thioxo-, 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/C27H30ClFN4O2S3.ClH/c1-4-31(5-2)15-8-16-32-24-23(38-27(32)36)25(34)33(18-11-13-19(14-12-18)35-6-3)26(30-24)37-17-20-21(28)9-7-10-22(20)29;/h7,9-14H,4-6,8,15-17H2,1-3H3;1H
InChIKey ZQVRCNFVGVXTQV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7361
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/10328895