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3-(1-adamantylcarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
SpectraBase Compound ID Cr1tuSwxpZh
InChI InChI=1S/C23H31NO4/c1-14(2)28-19-5-3-18(4-6-19)20(10-21(25)26)24-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,14-17,20H,7-13H2,1-2H3,(H,24,27)(H,25,26)/t15-,16+,17-,20?,23-
InChIKey VSXLEPCMOAGYBN-HHGWFKHMSA-N
Mol Weight 385.5 g/mol
Molecular Formula C23H31NO4
Exact Mass 385.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4h1hYPKeJYw
Name 3-(1-adamantylcarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
Alternate Name(s) 3-(adamantane-1-carbonylamino)-3-(4-isopropoxyphenyl)propanoic acid 3-(adamantane-1-carbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid 3-[[1-adamantyl(oxo)methyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
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Formula C23H31NO4
InChI InChI=1S/C23H31NO4/c1-14(2)28-19-5-3-18(4-6-19)20(10-21(25)26)24-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,14-17,20H,7-13H2,1-2H3,(H,24,27)(H,25,26)/t15-,16+,17-,20?,23-
InChIKey VSXLEPCMOAGYBN-HHGWFKHMSA-N
Molecular Weight 385.504 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NC(=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O
SPLASH splash10-007c-8921000000-39f995a819f5923e7946
Wiley ID 1443934