![(3S,8S,9S,9aS)-3-[(2,2-dimethyl-1-oxopropoxy)methyl]-8-hydroxy-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine-9-carboxylic acid methyl ester](/api/spectrum/C1VBeUdLxbz/structure.png?h=300&w=458 "(3S,8S,9S,9aS)-3-[(2,2-dimethyl-1-oxopropoxy)methyl]-8-hydroxy-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine-9-carboxylic acid methyl ester")
| SpectraBase Compound ID | LWNK9dhk1q |
|---|---|
| InChI | InChI=1S/C17H29NO5/c1-17(2,3)16(21)23-10-11-7-8-12-14(15(20)22-4)13(19)6-5-9-18(11)12/h11-14,19H,5-10H2,1-4H3/t11-,12-,13-,14-/m0/s1 |
| InChIKey | SJFFLXLFMNJLAU-XUXIUFHCSA-N |
| Mol Weight | 327.42 g/mol |
| Molecular Formula | C17H29NO5 |
| Exact Mass | 327.204573 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C1VBeUdLxbz |
|---|---|
| Name | (3S,8S,9S,9aS)-3-[(2,2-dimethyl-1-oxopropoxy)methyl]-8-hydroxy-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine-9-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H29NO5 |
| InChI | InChI=1S/C17H29NO5/c1-17(2,3)16(21)23-10-11-7-8-12-14(15(20)22-4)13(19)6-5-9-18(11)12/h11-14,19H,5-10H2,1-4H3/t11-,12-,13-,14-/m0/s1 |
| InChIKey | SJFFLXLFMNJLAU-XUXIUFHCSA-N |
| Molecular Weight | 327.421 g/mol |
| SMILES | O[C@@]1([C@]([C@]2(N([C@](COC(C(C)(C)C)=O)(CC2)[H])CCC1)[H])(C(=O)OC)[H])[H] |
| SPLASH | splash10-03di-1090000000-eeeaeabe7f0c3a93ad88 |
| Source of Spectrum | F-70-3164-21 |
| Synonyms | (3S,8S,9S,9aS)-8-hydroxy-3-(pivaloyloxymethyl)-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrol[1,2-a]azepine-9-carboxylic acid methyl ester Methyl (3S,8S,9S,9aS)-3-(2,2-dimethylpropanoyloxymethyl)-8-hydroxy-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine-9-carboxylate Methyl (3S,8S,9S,9aS)-3-(2,2-dimethylpropanoyloxymethyl)-8-oxidanyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine-9-carboxylate |
| Wiley ID | 1596668 |