| SpectraBase Compound ID | 1vY1csuOYVJ |
|---|---|
| InChI | InChI=1S/C18H19NO4/c1-23-17(22)18-8-7-15(20)9-14(18)12-19(16(21)10-18)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-,18-/m0/s1 |
| InChIKey | NRLHSMMCWSMXPQ-KSSFIOAISA-N |
| Mol Weight | 313.35 g/mol |
| Molecular Formula | C18H19NO4 |
| Exact Mass | 313.131408 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3etVaEp91mb |
|---|---|
| Name | 8-Benzyl-1-(methoxycarbonyl)-8-azabicyclo[4.4.0]deca-2-en-4,9-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H19NO4 |
| InChI | InChI=1S/C18H19NO4/c1-23-17(22)18-8-7-15(20)9-14(18)12-19(16(21)10-18)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-,18-/m0/s1 |
| InChIKey | NRLHSMMCWSMXPQ-KSSFIOAISA-N |
| Molecular Weight | 313.353 g/mol |
| SMILES | [C@]12([C@](CN(C(C2)=O)Cc2ccccc2)(CC(C=C1)=O)[H])C(=O)OC |
| SPLASH | splash10-03xr-0629000000-15ef8676e9ec0fc6fcc4 |
| Source of Spectrum | J-57-6045-36 |
| Synonyms | (4aR,8aR)-2-Benzyl-3,7-dioxo-1,3,4,7,8,8a-hexahydro-2H-isoquinoline-4a-carboxylic acid methyl ester Methyl 2-benzyl-3,7-dioxo-1,3,4,7,8,8a-hexahydro-4a(2H)-isoquinolinecarboxylate (4aR,8aR)-3,7-dioxo-2-(phenylmethyl)-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylic acid methyl ester Methyl (4aR,8aR)-2-benzyl-3,7-dioxo-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylate Methyl (4aR,8aR)-3,7-bis(oxidanylidene)-2-(phenylmethyl)-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylate |
| Wiley ID | 1314318 |