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Cyclopropanecarboxylic acid, 2-(3-cyclohexen-1-yl)-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
SpectraBase Compound ID D235q8OEAhh
InChI InChI=1S/C25H36O2/c1-16-13-20(24(2,3)4)22(21(14-16)25(5,6)7)27-23(26)19-15-18(19)17-11-9-8-10-12-17/h8-9,13-14,17-19H,10-12,15H2,1-7H3/t17?,18-,19+/m0/s1
InChIKey VPPHEWXIANAZDL-JLMCIHFGSA-N
Mol Weight 368.6 g/mol
Molecular Formula C25H36O2
Exact Mass 368.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sjnuQVGdlB
Name Cyclopropanecarboxylic acid, 2-(3-cyclohexen-1-yl)-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
CAS Registry Number 125640-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O2
InChI InChI=1S/C25H36O2/c1-16-13-20(24(2,3)4)22(21(14-16)25(5,6)7)27-23(26)19-15-18(19)17-11-9-8-10-12-17/h8-9,13-14,17-19H,10-12,15H2,1-7H3/t17?,18-,19+/m0/s1
InChIKey VPPHEWXIANAZDL-JLMCIHFGSA-N
Molecular Weight 368.561 g/mol
SMILES [C@]1([C@](C2CC=CCC2)(C1)[H])(C(Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)C)=O)[H]
SPLASH splash10-0a6v-9500000000-d9789629088fe4aaf7d0
Source of Spectrum C-112-1912-10
Synonyms 2,6-Ditert-butyl-4-methylphenyl (1R,2S)-2-(3-cyclohexen-1-yl)cyclopropanecarboxylate 2,6-Ditert-butyl-4-methylphenyl trans-2-(3-cyclohexen-1-yl)cyclopropanecarboxylate
Wiley ID 1353424