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7-quinazolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydro-4-oxo-3-pentyl-2-thioxo-
SpectraBase Compound ID CbLQD5nx9rG
InChI InChI=1S/C22H23N3O4S/c1-2-3-4-9-25-21(27)16-7-6-15(11-17(16)24-22(25)30)20(26)23-12-14-5-8-18-19(10-14)29-13-28-18/h5-8,10-11H,2-4,9,12-13H2,1H3,(H,23,26)(H,24,30)
InChIKey SOCIRVRWXHKJPG-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C22H23N3O4S
Exact Mass 425.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BLdXgYRE9LW
Name 7-quinazolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydro-4-oxo-3-pentyl-2-thioxo-
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/C22H23N3O4S/c1-2-3-4-9-25-21(27)16-7-6-15(11-17(16)24-22(25)30)20(26)23-12-14-5-8-18-19(10-14)29-13-28-18/h5-8,10-11H,2-4,9,12-13H2,1H3,(H,23,26)(H,24,30)
InChIKey SOCIRVRWXHKJPG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1564
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/11229570