| SpectraBase Compound ID | JlYiqpqVzkF |
|---|---|
| InChI | InChI=1S/C26H29NO4/c1-30-25(28)23-21(19-11-7-4-8-12-19)15-20-13-14-27(16-18-9-5-3-6-10-18)17-22(20)24(23)26(29)31-2/h3-12,21,23-24H,13-17H2,1-2H3 |
| InChIKey | PBHUXLQWVWEISM-UHFFFAOYSA-N |
| Mol Weight | 419.52 g/mol |
| Molecular Formula | C26H29NO4 |
| Exact Mass | 419.209658 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9E3T6Ql3sQI |
|---|---|
| Name | Isoquinolline-7,8-dicarboxylic acid, 1,2,3,4,5,6,7,8-octahydro-2-benzyl-6-phenyl-, dimethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H29NO4 |
| InChI | InChI=1S/C26H29NO4/c1-30-25(28)23-21(19-11-7-4-8-12-19)15-20-13-14-27(16-18-9-5-3-6-10-18)17-22(20)24(23)26(29)31-2/h3-12,21,23-24H,13-17H2,1-2H3 |
| InChIKey | PBHUXLQWVWEISM-UHFFFAOYSA-N |
| Molecular Weight | 419.521 g/mol |
| SMILES | C12=C(C(C(C(C2)c2ccccc2)C(OC)=O)C(=O)OC)CN(CC1)Cc1ccccc1 |
| SPLASH | splash10-0006-9532200000-566936ca35676aa41679 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 2-Benzyl-6-phenyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid dimethyl ester 6-Phenyl-2-(phenylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid dimethyl ester Dimethyl 2-benzyl-6-phenyl-1,2,3,4,5,6,7,8-octahydro-7,8-isoquinolinedicarboxylate Dimethyl 2-benzyl-6-phenyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-7,8-dicarboxylate Dimethyl 6-phenyl-2-(phenylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-7,8-dicarboxylate |
| Wiley ID | 1428648 |