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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-, (tetrahydro-2-furanyl)methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-, (tetrahydro-2-furanyl)methyl ester
SpectraBase Compound ID 5D4e58ZNJgT
InChI InChI=1S/C22H27NO4S/c1-13-18(21(25)27-12-14-6-4-8-26-14)20(17-7-5-9-28-17)19-15(23-13)10-22(2,3)11-16(19)24/h5,7,9,14,20,23H,4,6,8,10-12H2,1-3H3
InChIKey MCZUECQATIWKAX-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tqZ1xoKmWc
Name 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-oxolanylmethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4S
InChI InChI=1S/C22H27NO4S/c1-13-18(21(25)27-12-14-6-4-8-26-14)20(17-7-5-9-28-17)19-15(23-13)10-22(2,3)11-16(19)24/h5,7,9,14,20,23H,4,6,8,10-12H2,1-3H3
InChIKey MCZUECQATIWKAX-UHFFFAOYSA-N
Molecular Weight 401.521 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1sccc1)C(OCC1OCCC1)=O)C
SPLASH splash10-006x-9861000000-4feaaa2398ce65a6d4e2
Synonyms 5-keto-2,7,7-trimethyl-4-(2-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid tetrahydrofurfuryl ester Oxolan-2-ylmethyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Oxolan-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-(2-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Wiley ID 1454813