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(1S,2R,5R)-(+)-Isomenthyl 2-Benzoyladamantane-2-carboxylate
SpectraBase Compound ID EnUMUxoHuT6
InChI InChI=1S/C28H38O3/c1-17(2)24-10-9-18(3)11-25(24)31-27(30)28(26(29)21-7-5-4-6-8-21)22-13-19-12-20(15-22)16-23(28)14-19/h4-8,17-20,22-25H,9-16H2,1-3H3/t18-,19-,20+,22-,23+,24?,25?,28?/m0/s1
InChIKey UFCYXQSRTDENEP-PGAOPVKJSA-N
Mol Weight 422.6 g/mol
Molecular Formula C28H38O3
Exact Mass 422.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uQ3AkKnOea
Name (1S,2R,5R)-(+)-Isomenthyl 2-Benzoyladamantane-2-carboxylate
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Formula C28H38O3
InChI InChI=1S/C28H38O3/c1-17(2)24-10-9-18(3)11-25(24)31-27(30)28(26(29)21-7-5-4-6-8-21)22-13-19-12-20(15-22)16-23(28)14-19/h4-8,17-20,22-25H,9-16H2,1-3H3/t18-,19-,20+,22-,23+,24?,25?,28?/m0/s1
InChIKey UFCYXQSRTDENEP-PGAOPVKJSA-N
Molecular Weight 422.609 g/mol
SMILES C1(C(OC2C(CC[C@@](C2)(C)[H])C(C)C)=O)([C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H])C(=O)c1ccccc1
SPLASH splash10-03di-2900000000-481e949d99d3ad056101
Source of Spectrum F-67-8349-5
Synonyms (5S)-2-isopropyl-5-methylcyclohexyl 2-benzoyl-2-adamantanecarboxylate
Wiley ID 1571288