| SpectraBase Compound ID | 51HSu70pgqA |
|---|---|
| InChI | InChI=1S/C21H33NO4/c1-10-25-18(23)14-12(3)16-17(13(4)15(14)19(24)26-11-2)21(7,8)22(9)20(16,5)6/h13-15H,3,10-11H2,1-2,4-9H3/t13-,14-,15-/m1/s1 |
| InChIKey | PHXPQADJZBBEEM-RBSFLKMASA-N |
| Mol Weight | 363.5 g/mol |
| Molecular Formula | C21H33NO4 |
| Exact Mass | 363.240959 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7g2jVMKIVY9 |
|---|---|
| Name | Diethyl 1,1,2,3,3,4-hexamethyl-7-methylene-2,3,4.alpha.,5.beta.,6.alpha.,7-hexahydro-1H-isoindole-5,6-dicarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H33NO4 |
| InChI | InChI=1S/C21H33NO4/c1-10-25-18(23)14-12(3)16-17(13(4)15(14)19(24)26-11-2)21(7,8)22(9)20(16,5)6/h13-15H,3,10-11H2,1-2,4-9H3/t13-,14-,15-/m1/s1 |
| InChIKey | PHXPQADJZBBEEM-RBSFLKMASA-N |
| Molecular Weight | 363.498 g/mol |
| SMILES | C12=C(C(C)(C)N(C2(C)C)C)[C@@](C)([H])[C@]([C@@](C1=C)(C(=O)OCC)[H])(C(=O)OCC)[H] |
| SPLASH | splash10-0002-0019000000-18a79aa90b8cf8ab345e |
| Source of Spectrum | KB-1992-1405-8 |
| Synonyms | Diethyl (4R,5R,6S)-1,1,2,3,3,4-hexamethyl-7-methylene-2,3,4,5,6,7-hexahydro-1H-isoindole-5,6-dicarboxylate Diethyl 1,1,2,3,3,4-hexamethykl-7-methylene-2,3,4.alpha.,5.beta.,6.alpha.,7-hexahydroindene-1H-isoindole-5,6-dicarboxylate Diethyl 1,1,2,3,3,4-hexamethyl-7-methylene-2,3,4.alpha.,5.beta.,6.alpha.,7-hexahydroindene-1H-isoindole-5,6-dicarboxylate |
| Wiley ID | 775715 |