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4-({2-[2-ethyl-2-methyl-4-(4-methylphenyl)tetrahydro-2H-pyran-4-yl]ethyl}amino)-4-oxobutanoic acid
SpectraBase Compound ID 9Aa5j5iNyEa
InChI InChI=1S/C21H31NO4/c1-4-20(3)15-21(12-14-26-20,17-7-5-16(2)6-8-17)11-13-22-18(23)9-10-19(24)25/h5-8H,4,9-15H2,1-3H3,(H,22,23)(H,24,25)
InChIKey JBKSUNPCAFGEPO-UHFFFAOYSA-N
Mol Weight 361.48 g/mol
Molecular Formula C21H31NO4
Exact Mass 361.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OM66cVX1M
Name 4-({2-[2-ethyl-2-methyl-4-(4-methylphenyl)tetrahydro-2H-pyran-4-yl]ethyl}amino)-4-oxobutanoic acid
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Formula C21H31NO4
InChI InChI=1S/C21H31NO4/c1-4-20(3)15-21(12-14-26-20,17-7-5-16(2)6-8-17)11-13-22-18(23)9-10-19(24)25/h5-8H,4,9-15H2,1-3H3,(H,22,23)(H,24,25)
InChIKey JBKSUNPCAFGEPO-UHFFFAOYSA-N
Molecular Weight 361.482 g/mol
SMILES N(C(CCC(=O)O)=O)CCC1(c2ccc(cc2)C)CC(CC)(C)OCC1
SPLASH splash10-0a4m-5900000000-30d510f8d4a92cda90d4
Synonyms 4-[2-[2-ethyl-2-methyl-4-(4-methylphenyl)-4-oxanyl]ethylamino]-4-oxobutanoic acid 4-[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]-4-oxidanylidene-butanoic acid 4-[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]-4-oxobutanoic acid 4-[2-[2-ethyl-2-methyl-4-(p-tolyl)tetrahydropyran-4-yl]ethylamino]-4-keto-butyric acid 4-[2-[2-ethyl-2-methyl-4-(p-tolyl)tetrahydropyran-4-yl]ethylamino]-4-oxo-butanoic acid
Wiley ID 1444272