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Benzenepropanoic acid, .alpha.-(benzoylamino)-, 2-oxo-2-(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)ethyl ester
SpectraBase Compound ID 4zHuhr1g5pq
InChI InChI=1S/C32H39N3O4/c36-29(34-11-13-35(14-12-34)32-19-24-15-25(20-32)17-26(16-24)21-32)22-39-31(38)28(18-23-7-3-1-4-8-23)33-30(37)27-9-5-2-6-10-27/h1-10,24-26,28H,11-22H2,(H,33,37)/t24-,25+,26-,28?,32-
InChIKey BKTLQYSAXGYAOV-JKMPVLBRSA-N
Mol Weight 529.7 g/mol
Molecular Formula C32H39N3O4
Exact Mass 529.294057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BsN6fMvriZ
Name Benzenepropanoic acid, .alpha.-(benzoylamino)-, 2-oxo-2-(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)ethyl ester
Alternate Name(s) 2-Benzamido-3-phenylpropanoic acid [2-[4-(1-adamantyl)-1-piperazinyl]-2-oxoethyl] ester [2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-3-phenylpropanoate [2-[4-(1-adamantyl)piperazin-1-yl]-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate [2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate
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Formula C32H39N3O4
InChI InChI=1S/C32H39N3O4/c36-29(34-11-13-35(14-12-34)32-19-24-15-25(20-32)17-26(16-24)21-32)22-39-31(38)28(18-23-7-3-1-4-8-23)33-30(37)27-9-5-2-6-10-27/h1-10,24-26,28H,11-22H2,(H,33,37)/t24-,25+,26-,28?,32-
InChIKey BKTLQYSAXGYAOV-JKMPVLBRSA-N
Molecular Weight 529.681 g/mol
SMILES N(C(C(=O)OCC(=O)N1CCN(CC1)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])Cc1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0006-9520000000-ce59f24b1176a2deb89e
Source of Spectrum IY-1-4616-0
Wiley ID 1654143