| SpectraBase Compound ID | FkTbvMRg10j |
|---|---|
| InChI | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+/t11-,13-,14-,15-,18-/m1/s1 |
| InChIKey | BTHCJHQOYFUIMG-CDQUAFCBSA-N |
| Mol Weight | 337.42 g/mol |
| Molecular Formula | C18H27NO5 |
| Exact Mass | 337.188923 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BbH7TdhmCOV |
|---|---|
| Name | Neoplatyphylline |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H27NO5 |
| GC Oven Program | Oven temp 280oC |
| InChI | InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+/t11-,13-,14-,15-,18-/m1/s1 |
| InChIKey | BTHCJHQOYFUIMG-CDQUAFCBSA-N |
| Instrument Name | HP 6980-5972 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbdv.202200603 |
| Molecular Weight | 337.416 g/mol |
| SMILES | O[C@@]1([C@@](C\C(C(O[C@@]2(CCN3[C@@]2([C@](CC3)(COC1=O)[H])[H])[H])=O)=C/C)(C)[H])C |
| SPLASH | splash10-007o-7900000000-b24f26eb1b9a2dd2bec1 |
| Source of Spectrum | CBD-19-SM3-Neoplatyphylline |
| Wiley ID | 1880601 |