| SpectraBase Compound ID | Jtfqp2vB5nB |
|---|---|
| InChI | InChI=1S/C28H27N5O7/c1-16(2)23(34)31-28-30-22-21(24(35)32-28)29-15-33(22)25-20(40-27(37)18-11-7-4-8-12-18)13-19(14-38-25)39-26(36)17-9-5-3-6-10-17/h3-12,15-16,19-20,25H,13-14H2,1-2H3,(H2,30,31,32,34,35)/t19-,20+,25+/m1/s1 |
| InChIKey | CZDCQFWDBRGNCX-RNHFSVANSA-N |
| Mol Weight | 545.55 g/mol |
| Molecular Formula | C28H27N5O7 |
| Exact Mass | 545.191048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5CfkUA4m6KG |
|---|---|
| Name | CZDCQFWDBRGNCX-RNHFSVANSA-N |
| Compound Number | 2242 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H27N5O7 |
| InChI | InChI=1S/C28H27N5O7/c1-16(2)23(34)31-28-30-22-21(24(35)32-28)29-15-33(22)25-20(40-27(37)18-11-7-4-8-12-18)13-19(14-38-25)39-26(36)17-9-5-3-6-10-17/h3-12,15-16,19-20,25H,13-14H2,1-2H3,(H2,30,31,32,34,35)/t19-,20+,25+/m1/s1 |
| InChIKey | CZDCQFWDBRGNCX-RNHFSVANSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 545.552 g/mol |
| Sample ID | 518 |
| Solvent | DMSO-D6 |