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5-keto-2,7,7-trimethyl-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester
SpectraBase Compound ID 1xhfU4bsOxZ
InChI InChI=1S/C25H27NO3S/c1-16-21(24(28)29-11-9-17-7-5-4-6-8-17)22(18-10-12-30-15-18)23-19(26-16)13-25(2,3)14-20(23)27/h4-8,10,12,15,22,26H,9,11,13-14H2,1-3H3
InChIKey WZKGHJFSWGBTKN-UHFFFAOYSA-N
Mol Weight 421.56 g/mol
Molecular Formula C25H27NO3S
Exact Mass 421.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10IRVgrW9iy
Name 5-keto-2,7,7-trimethyl-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester
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Formula C25H27NO3S
InChI InChI=1S/C25H27NO3S/c1-16-21(24(28)29-11-9-17-7-5-4-6-8-17)22(18-10-12-30-15-18)23-19(26-16)13-25(2,3)14-20(23)27/h4-8,10,12,15,22,26H,9,11,13-14H2,1-3H3
InChIKey WZKGHJFSWGBTKN-UHFFFAOYSA-N
Molecular Weight 421.555 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1cscc1)C(=O)OCCc1ccccc1)C
SPLASH splash10-0zj3-7941000000-84f53140d628aaf08a0f
Synonyms phenethyl 2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate 2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenylethyl ester 2-Phenylethyl 2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate 2-Phenylethyl 2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Wiley ID 1462325