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2,2-Dimethylpropanoic acid 2-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]ethyl ester
SpectraBase Compound ID JRCMXJIS3h9
InChI InChI=1S/C16H28O3/c1-11-7-8-13(17)16(5,6)12(11)9-10-19-14(18)15(2,3)4/h12-13,17H,1,7-10H2,2-6H3/t12-,13+/m0/s1
InChIKey ZZTNVUCBZKQCQD-QWHCGFSZSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RQJ1DMwdT2
Name 2,2-Dimethylpropanoic acid 2-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-11-7-8-13(17)16(5,6)12(11)9-10-19-14(18)15(2,3)4/h12-13,17H,1,7-10H2,2-6H3/t12-,13+/m0/s1
InChIKey ZZTNVUCBZKQCQD-QWHCGFSZSA-N
Molecular Weight 268.397 g/mol
SMILES O[C@]1(C([C@](C(=C)CC1)(CCOC(C(C)(C)C)=O)[H])(C)C)[H]
SPLASH splash10-05aj-7900000000-e9b34b21288781deb51a
Source of Spectrum QC-7-3016-17
Synonyms 2,2-Dimethylpropionic acid 2-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]ethyl ester 2-[(1S,3R)-2,2-dimethyl-6-methylidene-3-oxidanyl-cyclohexyl]ethyl 2,2-dimethylpropanoate 2-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]ethyl 2,2-dimethylpropanoate 2-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl 2,2-dimethylpropanoate
Wiley ID 869500