| SpectraBase Compound ID | 3hYBIcRD7TY |
|---|---|
| InChI | InChI=1S/C23H28BrNO3/c1-6-13(2)28-22(27)19-14(3)25-17-11-23(4,5)12-18(26)21(17)20(19)15-9-7-8-10-16(15)24/h7-10,13,20,25H,6,11-12H2,1-5H3 |
| InChIKey | DREGCMXRRNUOIK-UHFFFAOYSA-N |
| Mol Weight | 446.39 g/mol |
| Molecular Formula | C23H28BrNO3 |
| Exact Mass | 445.125257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DTpyImzlRxg |
|---|---|
| Name | 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butan-2-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28BrNO3 |
| InChI | InChI=1S/C23H28BrNO3/c1-6-13(2)28-22(27)19-14(3)25-17-11-23(4,5)12-18(26)21(17)20(19)15-9-7-8-10-16(15)24/h7-10,13,20,25H,6,11-12H2,1-5H3 |
| InChIKey | DREGCMXRRNUOIK-UHFFFAOYSA-N |
| Molecular Weight | 446.385 g/mol |
| SMILES | N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1c(Br)cccc1)C(OC(CC)C)=O)C |
| SPLASH | splash10-000x-1292000000-72bd2d285143ad69a770 |
| Synonyms | 4-(2-bromophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid sec-butyl ester Butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate sec-butyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate sec-butyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate |
| Wiley ID | 1455005 |