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METHYL_3,4,5,6,7,8-HEXAHYDRO-4-OXO-2-PHENYLQUINAZOLINE-6-CARBOXYLATE;MAJOR_REGIOISOMER
SpectraBase Compound ID IbxJqtJawKE
InChI InChI=1S/C16H16N2O3/c1-21-16(20)11-7-8-13-12(9-11)15(19)18-14(17-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,17,18,19)/t11-/m0/s1
InChIKey DZMAAJWDFBVMBA-NSHDSACASA-N
Mol Weight 284.31 g/mol
Molecular Formula C16H16N2O3
Exact Mass 284.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4E3yQym9bUu
Name METHYL_3,4,5,6,7,8-HEXAHYDRO-4-OXO-2-PHENYLQUINAZOLINE-6-CARBOXYLATE;MAJOR_REGIOISOMER
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N2O3
InChI InChI=1S/C16H16N2O3/c1-21-16(20)11-7-8-13-12(9-11)15(19)18-14(17-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,17,18,19)/t11-/m0/s1
InChIKey DZMAAJWDFBVMBA-NSHDSACASA-N
Literature Reference Author M.W.NOETZEL,K.RAUCH,T.LABAHN,A.DEMEIJERE
Literature Reference Citation ORG.LETTERS,4,839(2002)
Literature Reference DOI 10.1021/ol025530+
Molecular Weight 284.315 g/mol
Solvent CDCl3
Source File Reference UWMZ25388