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7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,3-dihydro-3-imino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester

View entire compound with spectra: 1 NMR

7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,3-dihydro-3-imino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester
SpectraBase Compound ID b0JoShZs8o
InChI InChI=1S/C24H21N5O6S/c1-13-7-20(25)27-29(13)21(30)11-36-24-26-17-9-15(23(32)33-2)4-5-16(17)22(31)28(24)10-14-3-6-18-19(8-14)35-12-34-18/h3-9H,10-12H2,1-2H3,(H2,25,27)
InChIKey QCIGGCGPQYZCLW-UHFFFAOYSA-N
Mol Weight 507.52 g/mol
Molecular Formula C24H21N5O6S
Exact Mass 507.121255 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4HrjRNvP6ox
Name 7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,3-dihydro-3-imino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester
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/C24H21N5O6S/c1-13-7-20(25)27-29(13)21(30)11-36-24-26-17-9-15(23(32)33-2)4-5-16(17)22(31)28(24)10-14-3-6-18-19(8-14)35-12-34-18/h3-9H,10-12H2,1-2H3,(H2,25,27)
InChIKey QCIGGCGPQYZCLW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6990
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/10328193