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Benzoic acid, 4-[(2-tricyclo[3.3.1.1(3,7)]dec-1-ylacetyl)amino]-, heptyl ester
SpectraBase Compound ID 4mzJkZCzyvm
InChI InChI=1S/C26H37NO3/c1-2-3-4-5-6-11-30-25(29)22-7-9-23(10-8-22)27-24(28)18-26-15-19-12-20(16-26)14-21(13-19)17-26/h7-10,19-21H,2-6,11-18H2,1H3,(H,27,28)/t19-,20+,21-,26-
InChIKey PLRFIUKTBYCEML-AFJPGINASA-N
Mol Weight 411.6 g/mol
Molecular Formula C26H37NO3
Exact Mass 411.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NBQWcR706Z
Name Benzoic acid, 4-[(2-tricyclo[3.3.1.1(3,7)]dec-1-ylacetyl)amino]-, heptyl ester
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Formula C26H37NO3
InChI InChI=1S/C26H37NO3/c1-2-3-4-5-6-11-30-25(29)22-7-9-23(10-8-22)27-24(28)18-26-15-19-12-20(16-26)14-21(13-19)17-26/h7-10,19-21H,2-6,11-18H2,1H3,(H,27,28)/t19-,20+,21-,26-
InChIKey PLRFIUKTBYCEML-AFJPGINASA-N
Molecular Weight 411.586 g/mol
SMILES N(c1ccc(cc1)C(OCCCCCCC)=O)C(=O)CC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-000i-9830000000-34ab0a71320df0d26017
Source of Spectrum IY-1-4463-3
Synonyms 4-[[2-(1-adamantyl)-1-oxoethyl]amino]benzoic acid heptyl ester Heptyl 4-[[2-(1-adamantyl)acetyl]amino]benzoate Heptyl 4-[2-(1-adamantyl)ethanoylamino]benzoate
Wiley ID 1652616