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Ethyl {[3-(2-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate
SpectraBase Compound ID HLo7Zj1UXIV
InChI InChI=1S/C19H18N2O4S/c1-3-25-17(22)12-26-19-20-14-9-5-4-8-13(14)18(23)21(19)15-10-6-7-11-16(15)24-2/h4-11H,3,12H2,1-2H3
InChIKey HXYBUAUIRNJWTM-UHFFFAOYSA-N
Mol Weight 370.42 g/mol
Molecular Formula C19H18N2O4S
Exact Mass 370.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6u19qflrjvK
Name Ethyl {[3-(2-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate
Comments Computed using HOSE algorithm
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Exact Mass 370.098728238 u
Formula C19H18N2O4S
InChI InChI=1S/C19H18N2O4S/c1-3-25-17(22)12-26-19-20-14-9-5-4-8-13(14)18(23)21(19)15-10-6-7-11-16(15)24-2/h4-11H,3,12H2,1-2H3
InChIKey HXYBUAUIRNJWTM-UHFFFAOYSA-N
Molecular Weight 370.423 g/mol
SMILES C=1C=CC(N2C(=NC3=C(C2=O)C=CC=C3)SCC(=O)OCC)=C(OC)C1