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Acetic acid, [5-methyl-2-(1-methylethenyl)cyclohexylidene]-, ethyl ester, [2R-(1E,2.alpha.,5.alpha.)]-
SpectraBase Compound ID 5iPoJkSV7Qt
InChI InChI=1S/C14H22O2/c1-5-16-14(15)9-12-8-11(4)6-7-13(12)10(2)3/h9,11,13H,2,5-8H2,1,3-4H3/b12-9+/t11-,13+/m0/s1
InChIKey DGJFPFOBWWAERF-BBLQWXAZSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZu53JfkTo7
Name Acetic acid, [5-methyl-2-(1-methylethenyl)cyclohexylidene]-, ethyl ester, [2R-(1E,2.alpha.,5.alpha.)]-
CAS Registry Number 71055-46-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-5-16-14(15)9-12-8-11(4)6-7-13(12)10(2)3/h9,11,13H,2,5-8H2,1,3-4H3/b12-9+/t11-,13+/m0/s1
InChIKey DGJFPFOBWWAERF-BBLQWXAZSA-N
Molecular Weight 222.328 g/mol
SMILES C(\C=C\1[C@@](C(=C)C)(CC[C@@](C1)(C)[H])[H])(=O)OCC
SPLASH splash10-05dj-0970000000-9af46837c15528525faa
Source of Spectrum K-112-2269-0
Synonyms Ethyl (2E)-[(2R,5S)-2-isopropenyl-5-methylcyclohexylidene]ethanoate Ethyl ester of (E)-(2-isopropenyl-5-methylcyclohexyliden)methylcarboxylic acid
Wiley ID 1222825