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DIMETHYL_TRANS-3,4,5,6,7,8-HEXAHYDRO-4-OXO-2-PHENYLQUINAZOLINE-6,7-DICARBOXYLATE;MAJOR_REGIOISOMER
SpectraBase Compound ID AEfwQu5QqWS
InChI InChI=1S/C18H18N2O5/c1-24-17(22)11-8-13-14(9-12(11)18(23)25-2)19-15(20-16(13)21)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,19,20,21)/t11-,12-/m0/s1
InChIKey USYSZSVTHIFXHD-RYUDHWBXSA-N
Mol Weight 342.35 g/mol
Molecular Formula C18H18N2O5
Exact Mass 342.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5LwQUoWONLP
Name DIMETHYL_TRANS-3,4,5,6,7,8-HEXAHYDRO-4-OXO-2-PHENYLQUINAZOLINE-6,7-DICARBOXYLATE;MAJOR_REGIOISOMER
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O5
InChI InChI=1S/C18H18N2O5/c1-24-17(22)11-8-13-14(9-12(11)18(23)25-2)19-15(20-16(13)21)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,19,20,21)/t11-,12-/m0/s1
InChIKey USYSZSVTHIFXHD-RYUDHWBXSA-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 342.351 g/mol
Solvent CDCl3
Source File Reference UWMZ25390