![8-Benzyl-1-[(acetooxycarbonyl)methyl]-8-azabicyclo[4.4.0]deca-2-en-4,9-dione](/api/spectrum/CsA18jH7gdk/structure.png?h=300&w=458 "8-Benzyl-1-[(acetooxycarbonyl)methyl]-8-azabicyclo[4.4.0]deca-2-en-4,9-dione")
| SpectraBase Compound ID | J4IroGinsqQ |
|---|---|
| InChI | InChI=1S/C19H21NO4/c1-14(21)24-13-19-8-7-17(22)9-16(19)12-20(18(23)10-19)11-15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3/t16-,19+/m0/s1 |
| InChIKey | SCOBSGLRKJJXLF-QFBILLFUSA-N |
| Mol Weight | 327.38 g/mol |
| Molecular Formula | C19H21NO4 |
| Exact Mass | 327.147058 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CsA18jH7gdk |
|---|---|
| Name | 8-Benzyl-1-[(acetooxycarbonyl)methyl]-8-azabicyclo[4.4.0]deca-2-en-4,9-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H21NO4 |
| InChI | InChI=1S/C19H21NO4/c1-14(21)24-13-19-8-7-17(22)9-16(19)12-20(18(23)10-19)11-15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3/t16-,19+/m0/s1 |
| InChIKey | SCOBSGLRKJJXLF-QFBILLFUSA-N |
| Molecular Weight | 327.380 g/mol |
| SMILES | C1(N(C[C@]2([C@@](C1)(C=CC(C2)=O)COC(=O)C)[H])Cc1ccccc1)=O |
| SPLASH | splash10-004i-0139000000-ad051ccbae61be90c73a |
| Source of Spectrum | J-57-6046-40 |
| Synonyms | 8-Benzyl-1-[(acetooxy)methyl]-8-azabicyclo[4.4.0]deca-2-en-4,9-dione Acetic acid (4aR,8aR)-2-benzyl-3,7-dioxo-1,3,4,7,8,8a-hexahydro-2H-isoquinolin-4a-ylmethyl ester Acetic acid [(4aR,8aR)-3,7-dioxo-2-(phenylmethyl)-1,4,8,8a-tetrahydroisoquinolin-4a-yl]methyl ester [(4aR,8aR)-2-benzyl-3,7-dioxo-1,4,8,8a-tetrahydroisoquinolin-4a-yl]methyl acetate [(4aR,8aR)-3,7-bis(oxidanylidene)-2-(phenylmethyl)-1,4,8,8a-tetrahydroisoquinolin-4a-yl]methyl ethanoate |
| Wiley ID | 1325637 |