| SpectraBase Compound ID | LCIa7PiCGg2 |
|---|---|
| InChI | InChI=1S/C21H23NO5/c1-11-17(20(24)25-4)18(12-5-6-15-16(7-12)27-10-26-15)19-13(22-11)8-21(2,3)9-14(19)23/h5-7,18,22H,8-10H2,1-4H3 |
| InChIKey | KZTTVJBAIMBZLD-UHFFFAOYSA-N |
| Mol Weight | 369.42 g/mol |
| Molecular Formula | C21H23NO5 |
| Exact Mass | 369.157623 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9Z6MEn5DPLQ |
|---|---|
| Name | Methyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate |
| CAS Registry Number | 126342-57-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H23NO5 |
| InChI | InChI=1S/C21H23NO5/c1-11-17(20(24)25-4)18(12-5-6-15-16(7-12)27-10-26-15)19-13(22-11)8-21(2,3)9-14(19)23/h5-7,18,22H,8-10H2,1-4H3 |
| InChIKey | KZTTVJBAIMBZLD-UHFFFAOYSA-N |
| Molecular Weight | 369.417 g/mol |
| SMILES | N1C(=C(C(C2=C1CC(CC2=O)(C)C)c1cc2c(OCO2)cc1)C(OC)=O)C |
| SPLASH | splash10-0002-5983000000-c32737eaf69c68f23115 |
| Synonyms | 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester 4-(1,3-benzodioxol-5-yl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Methyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Methyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate Methyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate |
| Wiley ID | 1456453 |