| SpectraBase Compound ID | IgWsbNXYvkN |
|---|---|
| InChI | InChI=1S/C21H23F2NO3/c1-11(2)10-27-21(26)18-12(3)24-16-5-4-6-17(25)20(16)19(18)13-7-8-14(22)15(23)9-13/h7-9,11,19,24H,4-6,10H2,1-3H3 |
| InChIKey | KYKSDGPJNNCXRH-UHFFFAOYSA-N |
| Mol Weight | 375.42 g/mol |
| Molecular Formula | C21H23F2NO3 |
| Exact Mass | 375.1646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9kXERKGLRAk |
|---|---|
| Name | Isobutyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate |
| Alternate Name(s) | 2-Methylpropyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 2-Methylpropyl 4-[3,4-bis(fluoranyl)phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 4-(3,4-Difluoro-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid isobutyl ester 4-(3,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester 4-(3,4-difluorophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester isobutyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate |
| CAS Registry Number | 347312-64-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H23F2NO3 |
| InChI | InChI=1S/C21H23F2NO3/c1-11(2)10-27-21(26)18-12(3)24-16-5-4-6-17(25)20(16)19(18)13-7-8-14(22)15(23)9-13/h7-9,11,19,24H,4-6,10H2,1-3H3 |
| InChIKey | KYKSDGPJNNCXRH-UHFFFAOYSA-N |
| Molecular Weight | 375.416 g/mol |
| SMILES | N1C(=C(C(C=2C(CCCC12)=O)c1cc(F)c(cc1)F)C(OCC(C)C)=O)C |
| SPLASH | splash10-08fr-4392000000-c26546f0f3c1ece42b9b |
| Wiley ID | 1458973 |