| SpectraBase Compound ID | 3oz76XoqQ1Y |
|---|---|
| InChI | InChI=1S/C24H31NO3S/c1-6-29-11-10-28-23(27)20-16(3)25-18-13-24(4,5)14-19(26)22(18)21(20)17-9-7-8-15(2)12-17/h7-9,12,21,25H,6,10-11,13-14H2,1-5H3 |
| InChIKey | NPGVTPUVHZTSQK-UHFFFAOYSA-N |
| Mol Weight | 413.58 g/mol |
| Molecular Formula | C24H31NO3S |
| Exact Mass | 413.202465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J9JbP7eMGCF |
|---|---|
| Name | 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester |
| Alternate Name(s) | 2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-Ethylsulfanylethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate 2-Ethylsulfanylethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate 2-Ethylsulfanylethyl 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-(ethylthio)ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H31NO3S |
| InChI | InChI=1S/C24H31NO3S/c1-6-29-11-10-28-23(27)20-16(3)25-18-13-24(4,5)14-19(26)22(18)21(20)17-9-7-8-15(2)12-17/h7-9,12,21,25H,6,10-11,13-14H2,1-5H3 |
| InChIKey | NPGVTPUVHZTSQK-UHFFFAOYSA-N |
| Molecular Weight | 413.576 g/mol |
| SMILES | N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1cc(C)ccc1)C(=O)OCCSCC)C |
| SPLASH | splash10-022i-9545200000-1a113a16f579fc369909 |
| Wiley ID | 1461705 |