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5-keto-4-(3-methoxyphenyl)-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester
SpectraBase Compound ID 2l9JD7g2c8u
InChI InChI=1S/C28H31NO4/c1-18-24(27(31)33-14-13-19-9-6-5-7-10-19)25(20-11-8-12-21(15-20)32-4)26-22(29-18)16-28(2,3)17-23(26)30/h5-12,15,25,29H,13-14,16-17H2,1-4H3
InChIKey PQEHEKCBFSELGZ-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C28H31NO4
Exact Mass 445.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wy9Ke07WQ
Name 5-keto-4-(3-methoxyphenyl)-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester
Alternate Name(s) phenethyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate 4-(3-Methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenylethyl ester 2-Phenylethyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31NO4
InChI InChI=1S/C28H31NO4/c1-18-24(27(31)33-14-13-19-9-6-5-7-10-19)25(20-11-8-12-21(15-20)32-4)26-22(29-18)16-28(2,3)17-23(26)30/h5-12,15,25,29H,13-14,16-17H2,1-4H3
InChIKey PQEHEKCBFSELGZ-UHFFFAOYSA-N
Molecular Weight 445.559 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1cc(OC)ccc1)C(=O)OCCc1ccccc1)C
SPLASH splash10-000i-4669000000-29b2abe45c4fb7d3ee44
Wiley ID 1454817