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Benzenebutanoic acid, .alpha.,4-dimethyl-.beta.-[[(2-tricyclo[3.3.1.1(3,7)]dec-1-ylethyl)amino]carbonyl]-
SpectraBase Compound ID L7Eeu17lRgE
InChI InChI=1S/C25H35NO3/c1-16-3-5-18(6-4-16)12-22(17(2)24(28)29)23(27)26-8-7-25-13-19-9-20(14-25)11-21(10-19)15-25/h3-6,17,19-22H,7-15H2,1-2H3,(H,26,27)(H,28,29)/t17?,19-,20+,21-,22?,25+
InChIKey DPGYGRXEBIESJS-XVOLIFNKSA-N
Mol Weight 397.6 g/mol
Molecular Formula C25H35NO3
Exact Mass 397.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOnLvvUPOp5
Name Benzenebutanoic acid, .alpha.,4-dimethyl-.beta.-[[(2-tricyclo[3.3.1.1(3,7)]dec-1-ylethyl)amino]carbonyl]-
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Formula C25H35NO3
InChI InChI=1S/C25H35NO3/c1-16-3-5-18(6-4-16)12-22(17(2)24(28)29)23(27)26-8-7-25-13-19-9-20(14-25)11-21(10-19)15-25/h3-6,17,19-22H,7-15H2,1-2H3,(H,26,27)(H,28,29)/t17?,19-,20+,21-,22?,25+
InChIKey DPGYGRXEBIESJS-XVOLIFNKSA-N
Molecular Weight 397.559 g/mol
SMILES N(C(C(C(C(=O)O)C)Cc1ccc(cc1)C)=O)CCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-0bvr-5921000000-cff963c8f3ce419a53f9
Source of Spectrum IY-1-4491-5
Synonyms 4-[2-(1-adamantyl)ethylamino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid 4-[2-(1-adamantyl)ethylamino]-2-methyl-4-oxo-3-(p-tolylmethyl)butanoic acid 4-[2-(1-adamantyl)ethylamino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoic acid
Wiley ID 1652898