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2-(1-Cyano-1-mercaptomethyl-ethyl)-quinazolin-4(3H)-one
SpectraBase Compound ID DiBHb34t3TG
InChI InChI=1S/C12H11N3OS/c1-12(6-13,7-17)11-14-9-5-3-2-4-8(9)10(16)15-11/h2-5,17H,7H2,1H3,(H,14,15,16)
InChIKey JYUQRIHMLWEXNI-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C12H11N3OS
Exact Mass 245.062283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1GE876QvKZ
Name 2-(1-Cyano-1-mercaptomethyl-ethyl)-quinazolin-4(3H)-one
Comments ERRONEOUS MULTIPLICITIES QUOTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11N3OS
InChI InChI=1S/C12H11N3OS/c1-12(6-13,7-17)11-14-9-5-3-2-4-8(9)10(16)15-11/h2-5,17H,7H2,1H3,(H,14,15,16)
InChIKey JYUQRIHMLWEXNI-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference T. Nishio, M. Fujisawa, Y. Omote, J. Chem. Soc. Perkin I 2523 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3