| SpectraBase Compound ID | JMVho5SbxHx |
|---|---|
| InChI | InChI=1S/C21H24ClNO3/c1-5-26-20(25)17-12(2)23-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(22)9-7-13/h6-9,18,23H,5,10-11H2,1-4H3 |
| InChIKey | GLEFXODWLPNDKP-UHFFFAOYSA-N |
| Mol Weight | 373.88 g/mol |
| Molecular Formula | C21H24ClNO3 |
| Exact Mass | 373.144471 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2uQqbaHVwp7 |
|---|---|
| Name | 4-(4-Chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24ClNO3 |
| InChI | InChI=1S/C21H24ClNO3/c1-5-26-20(25)17-12(2)23-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(22)9-7-13/h6-9,18,23H,5,10-11H2,1-4H3 |
| InChIKey | GLEFXODWLPNDKP-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/aoc.3136 |
| Molecular Weight | 373.880 g/mol |
| SMILES | N1C=2CC(CC(C2C(C(=C1C)C(=O)OCC)c1ccc(cc1)Cl)=O)(C)C |
| SPLASH | splash10-000i-0900000000-a2effd3624e6b7b492aa |
| Source of Spectrum | AOC-28-359/SM4-4h |
| Synonyms | Ethyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 4-(4-Chlorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Ethyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Ethyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Ethyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Wiley ID | 1768623 |