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2-Benzoyl-adamantane-2-carboxylic acid (S)-2-methyl-butyl ester
SpectraBase Compound ID 1l7VVp4jQvb
InChI InChI=1S/C23H30O3/c1-3-15(2)14-26-22(25)23(21(24)18-7-5-4-6-8-18)19-10-16-9-17(12-19)13-20(23)11-16/h4-8,15-17,19-20H,3,9-14H2,1-2H3/t15-,16-,17+,19-,20+,23-/m0/s1
InChIKey JEXCSRPDFPSVHD-NWFZGJQASA-N
Mol Weight 354.49 g/mol
Molecular Formula C23H30O3
Exact Mass 354.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KamdkM0RNX
Name 2-Benzoyl-adamantane-2-carboxylic acid (S)-2-methyl-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O3
InChI InChI=1S/C23H30O3/c1-3-15(2)14-26-22(25)23(21(24)18-7-5-4-6-8-18)19-10-16-9-17(12-19)13-20(23)11-16/h4-8,15-17,19-20H,3,9-14H2,1-2H3/t15-,16-,17+,19-,20+,23-/m0/s1
InChIKey JEXCSRPDFPSVHD-NWFZGJQASA-N
Molecular Weight 354.490 g/mol
SMILES C1([C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H])(C(=O)c1ccccc1)C(OC[C@](CC)(C)[H])=O
SPLASH splash10-0a4i-3900000000-b4544eb80b858acc2d84
Source of Spectrum F-67-8349-5
Synonyms (2S)-2-methylbutyl 2-benzoyl-2-adamantanecarboxylate (S)-(-)-2-Methyl-1-butyl 2-Benzoyladamantan-2-carboxylate 2-Benzoyl-2-adamantanecarboxylic acid[(2S)-2-methylbutyl]ester 2-Benzoyladamantane-2-carboxylic acid[(2S)-2-methylbutyl]ester [(2S)-2-methylbutyl]2-(phenylcarbonyl)adamantane-2-carboxylate [(2S)-2-methylbutyl]2-benzoyladamantane-2-carboxylate 2-Benzoyl-2-adamantanecarboxylic acid [(2S)-2-methylbutyl] ester [(2S)-2-methylbutyl] 2-benzoyladamantane-2-carboxylate [(2S)-2-methylbutyl] 2-(phenylcarbonyl)adamantane-2-carboxylate
Wiley ID 1571287