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phenylalanine, N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylbenzoyl)-
SpectraBase Compound ID 3g2qIrsl6FQ
InChI InChI=1S/C26H29NO3/c28-24(27-23(25(29)30)13-17-4-2-1-3-5-17)21-6-8-22(9-7-21)26-14-18-10-19(15-26)12-20(11-18)16-26/h1-9,18-20,23H,10-16H2,(H,27,28)(H,29,30)/t18-,19+,20-,23?,26-
InChIKey QNNHWMHBWTXEDI-HDWGDBBDSA-N
Mol Weight 403.52 g/mol
Molecular Formula C26H29NO3
Exact Mass 403.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kB5ZvDFMGE
Name Benzenepropanoic acid, .alpha.-[(4-tricyclo[3.3.1.1(3,7)]dec-1-ylbenzoyl)amino]-
Alternate Name(s) 2-[[[4-(1-adamantyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid 2-[[4-(1-adamantyl)benzoyl]amino]-3-phenylpropanoic acid 2-[[4-(1-adamantyl)benzoyl]amino]-3-phenyl-propanoic acid 2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-phenyl-propanoic acid
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Formula C26H29NO3
InChI InChI=1S/C26H29NO3/c28-24(27-23(25(29)30)13-17-4-2-1-3-5-17)21-6-8-22(9-7-21)26-14-18-10-19(15-26)12-20(11-18)16-26/h1-9,18-20,23H,10-16H2,(H,27,28)(H,29,30)/t18-,19+,20-,23?,26-
InChIKey QNNHWMHBWTXEDI-HDWGDBBDSA-N
Molecular Weight 403.522 g/mol
SMILES N(C(=O)c1ccc(cc1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C(C(O)=O)Cc1ccccc1
SPLASH splash10-052r-5791000000-aeac4c10fd2a70fe368f
Source of Spectrum IY-1-4623-6
Wiley ID 1654219