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Cyclopropanecarboxylic acid, 2-butyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester, cis-
SpectraBase Compound ID BggjKOICLeu
InChI InChI=1S/C23H36O2/c1-9-10-11-16-14-17(16)21(24)25-20-18(22(3,4)5)12-15(2)13-19(20)23(6,7)8/h12-13,16-17H,9-11,14H2,1-8H3/t16-,17+/m0/s1
InChIKey LCTPUTGNCVFKAD-DLBZAZTESA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fq5mvPjjj42
Name Cyclopropanecarboxylic acid, 2-butyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester, cis-
Alternate Name(s) 2,6-Ditert-butyl-4-methylphenyl (1R,2S)-2-butylcyclopropanecarboxylate 2,6-Ditert-butyl-4-methylphenyl cis-2-(n-butyl)cyclopropanecarboxylate
CAS Registry Number 125641-25-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-9-10-11-16-14-17(16)21(24)25-20-18(22(3,4)5)12-15(2)13-19(20)23(6,7)8/h12-13,16-17H,9-11,14H2,1-8H3/t16-,17+/m0/s1
InChIKey LCTPUTGNCVFKAD-DLBZAZTESA-N
Molecular Weight 344.539 g/mol
SMILES c1(OC([C@@]2(C[C@@]2(CCCC)[H])[H])=O)c(C(C)(C)C)cc(cc1C(C)(C)C)C
SPLASH splash10-0a6r-9400000000-2c74f74957378a021128
Source of Spectrum C-112-1911-4
Wiley ID 1338357