| SpectraBase Compound ID | 7LggHdpVKJY |
|---|---|
| InChI | InChI=1S/C28H31NO4/c1-18-9-8-10-20(15-18)25-24(27(31)33-14-13-32-21-11-6-5-7-12-21)19(2)29-22-16-28(3,4)17-23(30)26(22)25/h5-12,15,25,29H,13-14,16-17H2,1-4H3 |
| InChIKey | FVDDBMFLRLHQSM-UHFFFAOYSA-N |
| Mol Weight | 445.56 g/mol |
| Molecular Formula | C28H31NO4 |
| Exact Mass | 445.225308 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 98wrpzKcJVC |
|---|---|
| Name | 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H31NO4 |
| InChI | InChI=1S/C28H31NO4/c1-18-9-8-10-20(15-18)25-24(27(31)33-14-13-32-21-11-6-5-7-12-21)19(2)29-22-16-28(3,4)17-23(30)26(22)25/h5-12,15,25,29H,13-14,16-17H2,1-4H3 |
| InChIKey | FVDDBMFLRLHQSM-UHFFFAOYSA-N |
| Molecular Weight | 445.559 g/mol |
| SMILES | N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1cc(C)ccc1)C(=O)OCCOc1ccccc1)C |
| SPLASH | splash10-0udi-4947100000-5271e55e7081242dc8fe |
| Synonyms | 2-Phenoxyethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate 2-Phenoxyethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-Phenoxyethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate 2-Phenoxyethyl 2,7,7-trimethyl-4-(m-tolyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate 5-keto-2,7,7-trimethyl-4-(m-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester |
| Wiley ID | 1460623 |