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3-(4-hydroxy-3,5-xylyl)-2-methyl-4(3H)-quinazolinone, propinate(ester)

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 UV-Vis

3-(4-hydroxy-3,5-xylyl)-2-methyl-4(3H)-quinazolinone, propinate(ester)
SpectraBase Compound ID 77Oia3GKFug
InChI InChI=1S/C20H20N2O3/c1-5-18(23)25-19-12(2)10-15(11-13(19)3)22-14(4)21-17-9-7-6-8-16(17)20(22)24/h6-11H,5H2,1-4H3
InChIKey WCJNRNOIPJNIQM-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C20H20N2O3
Exact Mass 336.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C95QdxPDkkK
Name 3-(4-HYDROXY-3,5-XYLYL)-2-METHYL-4(3H)-QUINAZOLINONE, PROPIONATE (ESTER)
Source of Sample S. Somasekhara, Sarabhai Research Centre, Baroda, India
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O3
InChI InChI=1S/C20H20N2O3/c1-5-18(23)25-19-12(2)10-15(11-13(19)3)22-14(4)21-17-9-7-6-8-16(17)20(22)24/h6-11H,5H2,1-4H3
InChIKey WCJNRNOIPJNIQM-UHFFFAOYSA-N
Melting Point 187-188C
Molecular Weight 336.39
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms QUINAZOLINONE, 4/3H/-, 3-/4- HYDROXY-3,5-XYLYL/-2-METHYL-, PROPIONATE (ESTER)