![acetic acid [(4aR,8aR)-2-(benzyl)-7-keto-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ester](/api/spectrum/2wGTu177FKQ/structure.png?h=300&w=458 "acetic acid [(4aR,8aR)-2-(benzyl)-7-keto-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ester")
| SpectraBase Compound ID | IjVXuG3jiYR |
|---|---|
| InChI | InChI=1S/C19H23NO3/c1-15(21)23-14-19-8-7-18(22)11-17(19)13-20(10-9-19)12-16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3/t17-,19+/m0/s1 |
| InChIKey | VXCBPMNPNOQKSS-PKOBYXMFSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C19H23NO3 |
| Exact Mass | 313.167794 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2wGTu177FKQ |
|---|---|
| Name | 8-Benzyl-1-[(acetooxycarbonyl)methyl]-8-azabicyclo[4.4.0]deca-2-en-4-one |
| Alternate Name(s) | Acetic acid (4aR,8aR)-2-benzyl-7-oxo-1,3,4,7,8,8a-hexahydro-2H-isoquinolin-4a-ylmethyl ester Acetic acid [(4aR,8aR)-7-oxo-2-(phenylmethyl)-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ester [(4aR,8aR)-2-benzyl-7-oxo-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl acetate [(4aR,8aR)-7-oxidanylidene-2-(phenylmethyl)-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H23NO3 |
| InChI | InChI=1S/C19H23NO3/c1-15(21)23-14-19-8-7-18(22)11-17(19)13-20(10-9-19)12-16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3/t17-,19+/m0/s1 |
| InChIKey | VXCBPMNPNOQKSS-PKOBYXMFSA-N |
| Molecular Weight | 313.397 g/mol |
| SMILES | [C@]12([C@](CN(CC2)Cc2ccccc2)(CC(C=C1)=O)[H])COC(=O)C |
| SPLASH | splash10-0ik9-0079000000-a351fcce3607664615dd |
| Source of Spectrum | J-57-6045-38 |
| Wiley ID | 1314381 |