| SpectraBase Compound ID | JmkZrAcqJDV |
|---|---|
| InChI | InChI=1S/C19H27N3O/c1-4-5-6-7-8-15-12(2)11-14-9-10-16-17(14)18(15)22-19(21-16)20-13(3)23/h6-7,12,14-15H,4-5,8-11H2,1-3H3,(H,20,21,22,23)/b7-6-/t12-,14+,15-/m1/s1 |
| InChIKey | GKTIHKWFKVQWMT-XUMUGXIFSA-N |
| Mol Weight | 313.45 g/mol |
| Molecular Formula | C19H27N3O |
| Exact Mass | 313.215413 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C6Kf9toU7pg |
|---|---|
| Name | Acetylmirabilin-A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H27N3O |
| InChI | InChI=1S/C19H27N3O/c1-4-5-6-7-8-15-12(2)11-14-9-10-16-17(14)18(15)22-19(21-16)20-13(3)23/h6-7,12,14-15H,4-5,8-11H2,1-3H3,(H,20,21,22,23)/b7-6-/t12-,14+,15-/m1/s1 |
| InChIKey | GKTIHKWFKVQWMT-XUMUGXIFSA-N |
| Molecular Weight | 313.445 g/mol |
| SMILES | N(c1nc2c3c(CC[C@@]3([H])C[C@]([C@]2(C\C=C/CCC)[H])(C)[H])n1)C(=O)C |
| SPLASH | splash10-00o3-2290000000-79efadc7ce6d0495ede7 |
| Source of Spectrum | JA-49-767-0 |
| Wiley ID | 1314397 |