| SpectraBase Compound ID | 47FdDFDv70m |
|---|---|
| InChI | InChI=1S/C18H20N2O3/c1-4-5-6-15(21)23-18-14(22-3)11-12-7-9-19-13-8-10-20(2)17(18)16(12)13/h7-11H,4-6H2,1-3H3 |
| InChIKey | TZFHMCQDGSMNOH-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C18H20N2O3 |
| Exact Mass | 312.147393 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EK2gsTLrpFs |
|---|---|
| Name | 9-O-(Valeryl)-iso-Aaptamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H20N2O3 |
| InChI | InChI=1S/C18H20N2O3/c1-4-5-6-15(21)23-18-14(22-3)11-12-7-9-19-13-8-10-20(2)17(18)16(12)13/h7-11H,4-6H2,1-3H3 |
| InChIKey | TZFHMCQDGSMNOH-UHFFFAOYSA-N |
| Molecular Weight | 312.369 g/mol |
| SMILES | c12c(c(OC)cc3c2c(ncc3)C=CN1C)OC(=O)CCCC |
| SPLASH | splash10-004i-8290000000-adb90e0a9afb5e7d4c40 |
| Source of Spectrum | G4-62-1265-5 |
| Wiley ID | 1608037 |