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3-(1-adamantylcarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
SpectraBase Compound ID A6vGlrBOmnk
InChI InChI=1S/C27H31NO4/c29-25(30)13-24(22-6-8-23(9-7-22)32-17-18-4-2-1-3-5-18)28-26(31)27-14-19-10-20(15-27)12-21(11-19)16-27/h1-9,19-21,24H,10-17H2,(H,28,31)(H,29,30)/t19-,20+,21-,24?,27-
InChIKey LXCIGJBTZFOJQN-WMTMAJDGSA-N
Mol Weight 433.55 g/mol
Molecular Formula C27H31NO4
Exact Mass 433.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66Lfillf3bG
Name 3-(1-adamantylcarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
Alternate Name(s) 3-(adamantane-1-carbonylamino)-3-(4-benzoxyphenyl)propionic acid 3-(adamantane-1-carbonylamino)-3-(4-benzyloxyphenyl)propanoic acid 3-(adamantane-1-carbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid 3-[[1-adamantyl(oxo)methyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
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Formula C27H31NO4
InChI InChI=1S/C27H31NO4/c29-25(30)13-24(22-6-8-23(9-7-22)32-17-18-4-2-1-3-5-18)28-26(31)27-14-19-10-20(15-27)12-21(11-19)16-27/h1-9,19-21,24H,10-17H2,(H,28,31)(H,29,30)/t19-,20+,21-,24?,27-
InChIKey LXCIGJBTZFOJQN-WMTMAJDGSA-N
Molecular Weight 433.548 g/mol
SMILES OC(CC(c1ccc(cc1)OCc1ccccc1)NC(C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O)=O
SPLASH splash10-0006-9310000000-3ed031f7459a6bd62890
Wiley ID 1512355