| SpectraBase Compound ID | GkPGtV0uh0U |
|---|---|
| InChI | InChI=1S/C18H25NO5/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/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1 |
| InChIKey | HKODIGSRFALUTA-IKZAEVNJSA-N |
| Mol Weight | 335.4 g/mol |
| Molecular Formula | C18H25NO5 |
| Exact Mass | 335.173273 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1cP9oOZGim |
|---|---|
| Name | Integerrimine |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H25NO5 |
| GC Oven Program | Oven temp 280oC |
| InChI | InChI=1S/C18H25NO5/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/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1 |
| InChIKey | HKODIGSRFALUTA-IKZAEVNJSA-N |
| Instrument Name | HP 6980-5972 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbdv.202200603 |
| Molecular Weight | 335.400 g/mol |
| SMILES | O[C@@]1([C@@](C\C(C(O[C@@]2(CCN3[C@@]2(C(=CC3)COC1=O)[H])[H])=O)=C/C)(C)[H])C |
| SPLASH | splash10-0076-7900000000-7bcf93a5a0074dde6883 |
| Source of Spectrum | CBD-19-SM3-Integerrimine |
| Wiley ID | 1880597 |