| SpectraBase Compound ID | 6sd4euPM0V9 |
|---|---|
| InChI | InChI=1S/C21H24N2O4/c1-3-13-11-23(12-24)17-10-14(13)18(19(25)26-2)20-8-9-27-21(17,20)22-16-7-5-4-6-15(16)20/h3-7,12,14,17-18,22H,8-11H2,1-2H3/b13-3-/t14-,17-,18-,20-,21-/m0/s1 |
| InChIKey | NKMFTVSMLXLPDB-ZVHZMJRBSA-N |
| Mol Weight | 368.43 g/mol |
| Molecular Formula | C21H24N2O4 |
| Exact Mass | 368.173607 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3cnqn2SdcJQ |
|---|---|
| Name | Aspydophylline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O4 |
| InChI | InChI=1S/C21H24N2O4/c1-3-13-11-23(12-24)17-10-14(13)18(19(25)26-2)20-8-9-27-21(17,20)22-16-7-5-4-6-15(16)20/h3-7,12,14,17-18,22H,8-11H2,1-2H3/b13-3-/t14-,17-,18-,20-,21-/m0/s1 |
| InChIKey | NKMFTVSMLXLPDB-ZVHZMJRBSA-N |
| Molecular Weight | 368.433 g/mol |
| SMILES | N1c2ccccc2[C@@]23[C@]1([C@@]1(C[C@]([C@]3(C(=O)OC)[H])(\C(CN1C=O)=C/C)[H])[H])OCC2 |
| SPLASH | splash10-014r-0709000000-b555c310108727006fda |
| Source of Spectrum | G4-70-1788-11 |
| Wiley ID | 1694784 |