| 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
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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 |