| SpectraBase Compound ID | BJI78xpbWHo |
|---|---|
| InChI | InChI=1S/C17H23NO4/c1-12(19)20-14-10-18(9-13-7-5-4-6-8-13)11-15-16(14)22-17(2,3)21-15/h4-8,14-16H,9-11H2,1-3H3/t14-,15+,16-/m1/s1 |
| InChIKey | SCFHIYVFTLHTOG-OWCLPIDISA-N |
| Mol Weight | 305.37 g/mol |
| Molecular Formula | C17H23NO4 |
| Exact Mass | 305.162708 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BtrpYyKRk8D |
|---|---|
| Name | (3R,4S,5S)-1-Benzyl-4,5-(isopropylidenedioxy)piperidin-3-yl acetate |
| Alternate Name(s) | (3aS,7R,7aS)-5-benzyl-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridin-7-yl acetate acetic acid[(3aS,7R,7aS)-2,2-dimethyl-5-(phenylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl]ester acetic acid[(3aS,7R,7aS)-5-benzyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl]ester [(3aS,7R,7aS)-2,2-dimethyl-5-(phenylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl]ethanoate [(3aS,7R,7aS)-5-benzyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl]acetate acetic acid [(3aS,7R,7aS)-2,2-dimethyl-5-(phenylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl] ester [(3aS,7R,7aS)-5-benzyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl] acetate [(3aS,7R,7aS)-2,2-dimethyl-5-(phenylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl] ethanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H23NO4 |
| InChI | InChI=1S/C17H23NO4/c1-12(19)20-14-10-18(9-13-7-5-4-6-8-13)11-15-16(14)22-17(2,3)21-15/h4-8,14-16H,9-11H2,1-3H3/t14-,15+,16-/m1/s1 |
| InChIKey | SCFHIYVFTLHTOG-OWCLPIDISA-N |
| Molecular Weight | 305.374 g/mol |
| SMILES | [C@@]12([C@@](OC(O2)(C)C)(CN(C[C@]1(OC(=O)C)[H])Cc1ccccc1)[H])[H] |
| SPLASH | splash10-0006-9000000000-fc902081e7a4ffa89c62 |
| Source of Spectrum | KC-0-805-20 |
| Wiley ID | 785238 |