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methyl 5-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-2-furoate
SpectraBase Compound ID DzKrCj2oQJa
InChI InChI=1S/C22H21ClN4O4S/c1-14-17(23)12-26(25-14)10-5-11-27-20(28)16-6-3-4-7-18(16)24-22(27)32-13-15-8-9-19(31-15)21(29)30-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3
InChIKey SWUFZYDETLYSJR-UHFFFAOYSA-N
Mol Weight 472.95 g/mol
Molecular Formula C22H21ClN4O4S
Exact Mass 472.097204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7QngXpZpCSZ
Name methyl 5-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-2-furoate
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/C22H21ClN4O4S/c1-14-17(23)12-26(25-14)10-5-11-27-20(28)16-6-3-4-7-18(16)24-22(27)32-13-15-8-9-19(31-15)21(29)30-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3
InChIKey SWUFZYDETLYSJR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30848
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: 1727916; SBI_ID: SBI-030852
Temperature 308 °C