| SpectraBase Compound ID | ICGZlu6PYK0 |
|---|---|
| InChI | InChI=1S/C19H29NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11,13-17,20H,3-10H2,1-2H3/t11-,13-,14+,15+,16+,17+,18-,19+/m1/s1 |
| InChIKey | XWTQFFNBWQHSFL-ZZOJTZHCSA-N |
| Mol Weight | 303.45 g/mol |
| Molecular Formula | C19H29NO2 |
| Exact Mass | 303.219829 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KjRFApuvS7u |
|---|---|
| Name | Samandarone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H29NO2 |
| InChI | InChI=1S/C19H29NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11,13-17,20H,3-10H2,1-2H3/t11-,13-,14+,15+,16+,17+,18-,19+/m1/s1 |
| InChIKey | XWTQFFNBWQHSFL-ZZOJTZHCSA-N |
| Instrument Name | Agilent 7890A-5975 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/acs.jnatprod.9b00065 |
| Molecular Weight | 303.446 g/mol |
| SMILES | N1[C@@]2(C[C@@]3([C@]([C@](C1)(O2)[H])([C@@]1([C@@](CC3)([C@]2([C@](CC1)(CC(C2)=O)C)[H])[H])[H])C)[H])[H] |
| SPLASH | splash10-052r-9120000000-b6e8ce92062e194f11cd |
| Source of Spectrum | G4-82-SM6-2 |
| Wiley ID | 1867683 |