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Cyclohexanecarboxylic acid, 3,6-dihydroxy-2,2,6-trimethyl-, ethyl ester
SpectraBase Compound ID 8JC3pT32d0w
InChI InChI=1S/C12H22O4/c1-5-16-10(14)9-11(2,3)8(13)6-7-12(9,4)15/h8-9,13,15H,5-7H2,1-4H3
InChIKey QJDPHKIDGNZQEO-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ce7B4Fl4Bw
Name Cyclohexanecarboxylic acid, 3,6-dihydroxy-2,2,6-trimethyl-, ethyl ester
CAS Registry Number 70429-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-5-16-10(14)9-11(2,3)8(13)6-7-12(9,4)15/h8-9,13,15H,5-7H2,1-4H3
InChIKey QJDPHKIDGNZQEO-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES OC1C(C(C(CC1)(O)C)C(=O)OCC)(C)C
SPLASH splash10-0fbc-5900000000-ab5ce7dde8b93930039d
Source of Spectrum H-61-380-0
Synonyms Ethyl 3,6-dihydroxy-2,2,6-trimethylcyclohexanecarboxylate 3,6-Dihydroxy-2,2,6-trimethyl-1-cyclohexanecarboxylic acid ethyl ester Ethyl 3,6-dihydroxy-2,2,6-trimethylcyclohexane-1-carboxylate Ethyl 3,6-dihydroxy-2,2,6-trimethyl-cyclohexanecarboxylate Ethyl 2,2,6-trimethyl-3,6-bis(oxidanyl)cyclohexane-1-carboxylate
Wiley ID 1231634