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2-{[{[(4-chloroanilino)carbothioyl]amino}(imino)methyl]amino}-6-methoxy-4-methylquinazoline
SpectraBase Compound ID KFNX385DOvQ
InChI InChI=1S/C18H17ClN6OS/c1-10-14-9-13(26-2)7-8-15(14)23-17(21-10)24-16(20)25-18(27)22-12-5-3-11(19)4-6-12/h3-9H,1-2H3,(H4,20,21,22,23,24,25,27)
InChIKey APVVROHAABVKEE-UHFFFAOYSA-N
Mol Weight 400.89 g/mol
Molecular Formula C18H17ClN6OS
Exact Mass 400.087308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IXu06lujQM0
Name 2-{[{[(4-chloroanilino)carbothioyl]amino}(imino)methyl]amino}-6-methoxy-4-methylquinazoline
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/C18H17ClN6OS/c1-10-14-9-13(26-2)7-8-15(14)23-17(21-10)24-16(20)25-18(27)22-12-5-3-11(19)4-6-12/h3-9H,1-2H3,(H4,20,21,22,23,24,25,27)
InChIKey APVVROHAABVKEE-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28561
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: D86433; Labnumber: VGU-30931; SBI_ID: SBI-028565
Temperature 306 °C