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2-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-
SpectraBase Compound ID DcWak9cYcQ5
InChI InChI=1S/C27H26N8O3S/c1-16-11-17(2)34(31-16)10-8-23-30-26-19-13-21(37-3)22(38-4)14-20(19)29-27(35(26)32-23)39-15-18-12-25(36)33-9-6-5-7-24(33)28-18/h5-7,9,11-14H,8,10,15H2,1-4H3
InChIKey XPSPMJNEEHSHRF-UHFFFAOYSA-N
Mol Weight 542.62 g/mol
Molecular Formula C27H26N8O3S
Exact Mass 542.184858 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DOemaJmS9Db
Name 2-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.184857900 u
Formula C27H26N8O3S
InChI InChI=1S/C27H26N8O3S/c1-16-11-17(2)34(31-16)10-8-23-30-26-19-13-21(37-3)22(38-4)14-20(19)29-27(35(26)32-23)39-15-18-12-25(36)33-9-6-5-7-24(33)28-18/h5-7,9,11-14H,8,10,15H2,1-4H3
InChIKey XPSPMJNEEHSHRF-UHFFFAOYSA-N
Molecular Weight 542.618 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7076
Solvent DMSO-d6
Source Vendor ID: NMR/12329601