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Ethyl ester of trans-4-(1,1-dimethylethyl)-1-ethylcyclohexaneacetic acid
SpectraBase Compound ID Jpv1NJ4QMIp
InChI InChI=1S/C16H30O2/c1-6-16(12-14(17)18-7-2)10-8-13(9-11-16)15(3,4)5/h13H,6-12H2,1-5H3/t13-,16-
InChIKey HOBQXRGIRXGCCN-SAZUREKKSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ca7GNDjdboP
Name Ethyl ester of trans-4-(1,1-dimethylethyl)-1-ethylcyclohexaneacetic acid
CAS Registry Number 53188-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-6-16(12-14(17)18-7-2)10-8-13(9-11-16)15(3,4)5/h13H,6-12H2,1-5H3/t13-,16-
InChIKey HOBQXRGIRXGCCN-SAZUREKKSA-N
Molecular Weight 254.414 g/mol
SMILES C(=O)(C[C@]1(CC[C@](C(C)(C)C)(CC1)[H])CC)OCC
SPLASH splash10-0cdr-9500000000-332d5c2f38ef398d37fd
Source of Spectrum J-40-89-0
Synonyms Ethyl (4-tert-butyl-1-ethylcyclohexyl)acetate Ethyl ester of cis-4-(1,1-dimethylethyl)-1-ethylcyclohexaneacetic acid
Wiley ID 1258161