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(1S,2S,3S,5R)-(+)-Isopinocampheyl 2-Benzoyl adamantan-2-carboxylate

View entire compound with spectra: 1 MS (GC)

(1S,2S,3S,5R)-(+)-Isopinocampheyl 2-Benzoyl adamantan-2-carboxylate
SpectraBase Compound ID Eqg66Z423bw
InChI InChI=1S/C28H36O3/c1-16-23-14-20(27(23,2)3)15-24(16)31-26(30)28(25(29)19-7-5-4-6-8-19)21-10-17-9-18(12-21)13-22(28)11-17/h4-8,16-18,20-24H,9-15H2,1-3H3/t16-,17-,18+,20+,21-,22+,23-,24-,28-/m0/s1
InChIKey DDGXQOPCIQPIOG-IBKIFSRQSA-N
Mol Weight 420.6 g/mol
Molecular Formula C28H36O3
Exact Mass 420.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXgMXNaCYGW
Name (1S,2S,3S,5R)-(+)-Isopinocampheyl 2-Benzoyl adamantan-2-carboxylate
Alternate Name(s) (1S,2S,3S,5R)-(+)-Isopinocampheyl 2-(4-Fluorobenzoyl)adamantan-2-carboxylate (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl 2-benzoyl-2-adamantanecarboxylate 2-Benzoyl-2-adamantanecarboxylic acid[(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ester 2-Benzoyladamantane-2-carboxylic acid[(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-yl]ester [(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]2-(phenylcarbonyl)adamantane-2-carboxylate [(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]2-benzoyladamantane-2-carboxylate [(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-yl]2-benzoyladamantane-2-carboxylate 2-Benzoyl-2-adamantanecarboxylic acid [(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] ester [(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-benzoyladamantane-2-carboxylate [(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-yl] 2-benzoyladamantane-2-carboxylate [(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-(phenylcarbonyl)adamantane-2-carboxylate
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Formula C28H36O3
InChI InChI=1S/C28H36O3/c1-16-23-14-20(27(23,2)3)15-24(16)31-26(30)28(25(29)19-7-5-4-6-8-19)21-10-17-9-18(12-21)13-22(28)11-17/h4-8,16-18,20-24H,9-15H2,1-3H3/t16-,17-,18+,20+,21-,22+,23-,24-,28-/m0/s1
InChIKey DDGXQOPCIQPIOG-IBKIFSRQSA-N
Molecular Weight 420.593 g/mol
SMILES C1(C(O[C@@]2([C@]([C@@]3(C[C@@](C3(C)C)(C2)[H])[H])(C)[H])[H])=O)([C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])C(=O)c1ccccc1
SPLASH splash10-00mx-9260000000-6c58fb6ca06925499658
Source of Spectrum F-67-8349-5
Wiley ID 1571286