| SpectraBase Compound ID | IEOBi27fXKL |
|---|---|
| InChI | InChI=1S/C26H27IN4O6/c1-13(2)22(26(36)37)29-23(33)20-5-4-10-30(20)24(34)18-12-16(7-9-21(18)32)31-14(3)28-19-8-6-15(27)11-17(19)25(31)35/h6-9,11-13,20,22,32H,4-5,10H2,1-3H3,(H,29,33)(H,36,37) |
| InChIKey | OHVFDXJLBDTQLC-UHFFFAOYSA-N |
| Mol Weight | 618.43 g/mol |
| Molecular Formula | C26H27IN4O6 |
| Exact Mass | 618.09753 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90a7vKeTSAW |
|---|---|
| Name | 2-HYDROXY-5-(6-IODO-2-METHYL-4-OXO-3,4-DIHYDRO-3-QUINAZOLINYL)-BENZOYL-PROLYL-VALINE |
| Compound Number | 5C(A) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H27IN4O6 |
| InChI | InChI=1S/C26H27IN4O6/c1-13(2)22(26(36)37)29-23(33)20-5-4-10-30(20)24(34)18-12-16(7-9-21(18)32)31-14(3)28-19-8-6-15(27)11-17(19)25(31)35/h6-9,11-13,20,22,32H,4-5,10H2,1-3H3,(H,29,33)(H,36,37) |
| InChIKey | OHVFDXJLBDTQLC-UHFFFAOYSA-N |
| Literature Reference Author | R.DAHIYA,A.KUMAR,R.YADAV |
| Literature Reference Citation | MOLECULES,13,958(2008) |
| Literature Reference DOI | 10.3390/molecules13040958 |
| Molecular Weight | 618.428 g/mol |
| Sample ID | 38549 |
| Solvent | CDCl3 |