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Acetic acid, [[3-(cyclohexylmethyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-, ethyl ester

View entire compound with spectra: 2 NMR

Acetic acid, [[3-(cyclohexylmethyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-, ethyl ester
SpectraBase Compound ID Ey2Jb8Kwh56
InChI InChI=1S/C19H24N2O3S/c1-2-24-17(22)13-25-19-20-16-11-7-6-10-15(16)18(23)21(19)12-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKey PZQVZWWHGYNHNQ-UHFFFAOYSA-N
Mol Weight 360.47 g/mol
Molecular Formula C19H24N2O3S
Exact Mass 360.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgohnjeF36V
Name Acetic acid, [[3-(cyclohexylmethyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.150763812 u
Formula C19H24N2O3S
InChI InChI=1S/C19H24N2O3S/c1-2-24-17(22)13-25-19-20-16-11-7-6-10-15(16)18(23)21(19)12-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKey PZQVZWWHGYNHNQ-UHFFFAOYSA-N
Molecular Weight 360.472 g/mol
SMILES C1CCC(CN2C(=NC=3C(C2=O)=CC=CC3)SCC(=O)OCC)CC1