| SpectraBase Compound ID | 141qMVp6snO |
|---|---|
| InChI | InChI=1S/C22H28N2O4/c1-4-13-11-24-8-7-15-17-9-14(27-2)5-6-19(17)23-21(15)20(24)10-16(13)18(12-25)22(26)28-3/h4-6,9,16,18,20,23,25H,7-8,10-12H2,1-3H3/b13-4-/t16-,18?,20-/m0/s1 |
| InChIKey | IAVREAPWQOFQCX-GKABJHIISA-N |
| Mol Weight | 384.48 g/mol |
| Molecular Formula | C22H28N2O4 |
| Exact Mass | 384.204907 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 12yMkOOp4GF |
|---|---|
| Name | 10-Methoxy-iso-sitsirikine |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28N2O4 |
| InChI | InChI=1S/C22H28N2O4/c1-4-13-11-24-8-7-15-17-9-14(27-2)5-6-19(17)23-21(15)20(24)10-16(13)18(12-25)22(26)28-3/h4-6,9,16,18,20,23,25H,7-8,10-12H2,1-3H3/b13-4-/t16-,18?,20-/m0/s1 |
| InChIKey | IAVREAPWQOFQCX-GKABJHIISA-N |
| Molecular Weight | 384.476 g/mol |
| SMILES | [nH]1c2ccc(cc2c2c1[C@@]1(C[C@](C(CO)C(=O)OC)(\C(CN1CC2)=C/C)[H])[H])OC |
| SPLASH | splash10-001i-0359000000-f3f5d8a06b2cb6a790bf |
| Source of Spectrum | X2-46-721-19 |
| Wiley ID | 1601237 |