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TRANS-(+/-)-1-ADAMANTYL-2-(2-BENZOYL-3-PHENYLCYCLOPROPYL)-ACETATE
SpectraBase Compound ID 526jVmwEoeY
InChI InChI=1S/C28H30O3/c29-24(31-28-15-18-11-19(16-28)13-20(12-18)17-28)14-23-25(21-7-3-1-4-8-21)26(23)27(30)22-9-5-2-6-10-22/h1-10,18-20,23,25-26H,11-17H2/t18-,19+,20-,23-,25+,26+,28-/m0/s1
InChIKey HCQQSTSBBVCJTG-LUQHJHODSA-N
Mol Weight 414.55 g/mol
Molecular Formula C28H30O3
Exact Mass 414.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rIlZbVgBoX
Name ((1S,2R,3R)-2-Benzoyl-3-phenyl-cyclopropyl)-acetic acid adamantan-1-yl ester
Alternate Name(s) 1-Adamantyl[(1S,2R,3R)-2-benzoyl-3-phenylcyclopropyl]acetate trans-(+-)-1-Adamantyl 2-(2-benzoyl-3-phenylcyclopropyl)acetate 2-[(1S,2R,3R)-2-benzoyl-3-phenylcyclopropyl]acetic acid 1-adamantyl ester 1-Adamantyl 2-[(1S,2R,3R)-2-benzoyl-3-phenylcyclopropyl]acetate 1-Adamantyl 2-[(1S,2R,3R)-2-benzoyl-3-phenyl-cyclopropyl]acetate 1-Adamantyl 2-[(1S,2R,3R)-2-phenyl-3-(phenylcarbonyl)cyclopropyl]ethanoate
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Formula C28H30O3
InChI InChI=1S/C28H30O3/c29-24(31-28-15-18-11-19(16-28)13-20(12-18)17-28)14-23-25(21-7-3-1-4-8-21)26(23)27(30)22-9-5-2-6-10-22/h1-10,18-20,23,25-26H,11-17H2/t18-,19+,20-,23-,25+,26+,28-/m0/s1
InChIKey HCQQSTSBBVCJTG-LUQHJHODSA-N
Molecular Weight 414.545 g/mol
SMILES [C@@]1([C@@](CC(OC23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)([C@]1(c1ccccc1)[H])[H])(C(=O)c1ccccc1)[H]
SPLASH splash10-002r-0970100000-8775b8f68394a536752c
Source of Spectrum J-66-7964-5
Wiley ID 1568570