| SpectraBase Compound ID | 5SNAbcdvqQa |
|---|---|
| InChI | InChI=1S/C25H29N5O7/c1-14(10-18-8-6-5-7-9-18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(36-17(4)33)21(35-16(3)32)19(37-25)11-34-15(2)31/h5-9,12-14,19,21-22,25H,10-11H2,1-4H3,(H,26,27,29) |
| InChIKey | NGJIXTUFXXYQMN-UHFFFAOYSA-N |
| Mol Weight | 511.54 g/mol |
| Molecular Formula | C25H29N5O7 |
| Exact Mass | 511.206698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BlZ5c4NLO2e |
|---|---|
| Name | pia 3ac @P1670 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 511.206698287 u |
| Formula | C25H29N5O7 |
| InChI | InChI=1S/C25H29N5O7/c1-14(10-18-8-6-5-7-9-18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(36-17(4)33)21(35-16(3)32)19(37-25)11-34-15(2)31/h5-9,12-14,19,21-22,25H,10-11H2,1-4H3,(H,26,27,29) |
| InChIKey | NGJIXTUFXXYQMN-UHFFFAOYSA-N |
| Molecular Weight | 511.535 g/mol |
| SMILES | C1(OC(COC(=O)C)C(OC(C)=O)C1OC(C)=O)N1C=2N=CN=C(NC(CC=3C=CC=CC3)C)C2N=C1 |