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N-19-BENZOXYCARBONYL-FUMIQUINAZOLINE-I;MAJOR-ROTAMER
SpectraBase Compound ID HIo9jPgAUXM
InChI InChI=1S/C35H35N5O6/c1-20(2)17-27-32(43)39-26-16-10-8-14-24(26)35(45,33(39)40(27)34(44)46-19-22-11-5-4-6-12-22)18-28-30(41)36-21(3)29-37-25-15-9-7-13-23(25)31(42)38(28)29/h4-16,20-21,27-28,33,45H,17-19H2,1-3H3,(H,36,41)/t21-,27-,28+,33-,35+/m0/s1
InChIKey CWIMHUPKNXYFMU-NMPDVCMESA-N
Mol Weight 621.7 g/mol
Molecular Formula C35H35N5O6
Exact Mass 621.258734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6z7HwmfraG
Name N-19-BENZOXYCARBONYL-FUMIQUINAZOLINE-I;MINOR-ROTAMER
Compound Number 53
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H35N5O6
InChI InChI=1S/C35H35N5O6/c1-20(2)17-27-32(43)39-26-16-10-8-14-24(26)35(45,33(39)40(27)34(44)46-19-22-11-5-4-6-12-22)18-28-30(41)36-21(3)29-37-25-15-9-7-13-23(25)31(42)38(28)29/h4-16,20-21,27-28,33,45H,17-19H2,1-3H3,(H,36,41)/t21-,27-,28+,33-,35+/m0/s1
InChIKey CWIMHUPKNXYFMU-NMPDVCMESA-N
Literature Reference Author B.B.SNIDER,H.ZENG
Literature Reference Citation J.ORG.CHEM.,68,545(2003)
Literature Reference DOI 10.1021/jo0264980
Molecular Weight 621.693 g/mol
Solvent CDCl3
Source File Reference UWVN25434