| SpectraBase Compound ID | JVunQ3DGlV7 |
|---|---|
| InChI | InChI=1S/C21H29NO3/c1-3-9-17-16(4-2)20(23)19(18-12-8-13-22(17)18)21(24)25-14-15-10-6-5-7-11-15/h5-7,10-11,16-19H,3-4,8-9,12-14H2,1-2H3/t16-,17-,18-,19-/m1/s1 |
| InChIKey | ZNGLGAGVEATGKQ-NCXUSEDFSA-N |
| Mol Weight | 343.47 g/mol |
| Molecular Formula | C21H29NO3 |
| Exact Mass | 343.214744 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IPpf6t4eaEq |
|---|---|
| Name | Benzyl (5R,6R,8R,8aR)-6-ethyl-7-oxo-5-propyl-octahydro-indolizidine-8-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29NO3 |
| InChI | InChI=1S/C21H29NO3/c1-3-9-17-16(4-2)20(23)19(18-12-8-13-22(17)18)21(24)25-14-15-10-6-5-7-11-15/h5-7,10-11,16-19H,3-4,8-9,12-14H2,1-2H3/t16-,17-,18-,19-/m1/s1 |
| InChIKey | ZNGLGAGVEATGKQ-NCXUSEDFSA-N |
| Molecular Weight | 343.467 g/mol |
| SMILES | [C@]1(C([C@](CC)([C@](N2[C@@]1(CCC2)[H])(CCC)[H])[H])=O)(C(OCc1ccccc1)=O)[H] |
| SPLASH | splash10-0f6x-9315000000-6f0daffc89b6795e94fc |
| Source of Spectrum | F5-3-846-34 |
| Synonyms | (5R,6R,8R,8aR)-benzyl 6-ethyl-7-oxo-5-propyloctahydroindolizine-8-carboxylate (5R,6R,8R,8aR)-6-ethyl-7-oxo-5-propyl-2,3,5,6,8,8a-hexahydro-1H-indolizine-8-carboxylic acid (phenylmethyl) ester Benzyl (5R,6R,8R,8aR)-6-ethyl-7-oxo-5-propyl-2,3,5,6,8,8a-hexahydro-1H-indolizine-8-carboxylate (phenylmethyl) (5R,6R,8R,8aR)-6-ethyl-7-oxidanylidene-5-propyl-2,3,5,6,8,8a-hexahydro-1H-indolizine-8-carboxylate |
| Wiley ID | 1732203 |