| SpectraBase Compound ID | D4RqcKgqZyW |
|---|---|
| InChI | InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12?,13-,14+,18-,21+/m0/s1 |
| InChIKey | JMIAZDVHNCCPDM-WYJXZXBASA-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 | 7tLM86yAdaI |
|---|---|
| Name | Isopteropodine |
| CAS Registry Number | 5171-37-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O4 |
| InChI | InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12?,13-,14+,18-,21+/m0/s1 |
| InChIKey | JMIAZDVHNCCPDM-WYJXZXBASA-N |
| Molecular Weight | 368.433 g/mol |
| SMILES | N1c2c([C@@]3(C1=O)[C@]1(N(C[C@]4([C@@](C(=COC4C)C(=O)OC)(C1)[H])[H])CC3)[H])cccc2 |
| SPLASH | splash10-014i-9000000000-9559ebeac1f89f8cf85a |
| Source of Spectrum | X2-49-411-1 |
| Synonyms | Methyl 19-methyl-2-oxoformosanan-16-carboxylate |
| Wiley ID | 1601862 |