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2-(1-Mercaptomethyl-1-methoxycarbonyl-ethyl)-quinazolin-4(3H)-one

View entire compound with spectra: 1 NMR

2-(1-Mercaptomethyl-1-methoxycarbonyl-ethyl)-quinazolin-4(3H)-one
SpectraBase Compound ID Jix2rwZmM5A
InChI InChI=1S/C13H14N2O3S/c1-13(7-19,12(17)18-2)11-14-9-6-4-3-5-8(9)10(16)15-11/h3-6,19H,7H2,1-2H3,(H,14,15,16)
InChIKey SCXDNDRLRHFMMU-UHFFFAOYSA-N
Mol Weight 278.33 g/mol
Molecular Formula C13H14N2O3S
Exact Mass 278.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aq0bMN2giZ2
Name 2-(1-Mercaptomethyl-1-methoxycarbonyl-ethyl)-quinazolin-4(3H)-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14N2O3S
InChI InChI=1S/C13H14N2O3S/c1-13(7-19,12(17)18-2)11-14-9-6-4-3-5-8(9)10(16)15-11/h3-6,19H,7H2,1-2H3,(H,14,15,16)
InChIKey SCXDNDRLRHFMMU-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