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(3,6-dihydroxy-2,2,6-trimethyl-cyclohexyl)methyl acetate
SpectraBase Compound ID 7S0qUaHNr2I
InChI InChI=1S/C12H22O4/c1-8(13)16-7-9-11(2,3)10(14)5-6-12(9,4)15/h9-10,14-15H,5-7H2,1-4H3
InChIKey WMAOTDVMEGMGEK-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 1xIHj11suJY
Name (3,6-dihydroxy-2,2,6-trimethyl-cyclohexyl)methyl acetate
Alternate Name(s) Acetic acid (3,6-dihydroxy-2,2,6-trimethyl-cyclohexyl)methyl ester [2,2,6-trimethyl-3,6-bis(oxidanyl)cyclohexyl]methyl ethanoate Acetic acid (3,6-dihydroxy-2,2,6-trimethylcyclohexyl)methyl ester
CAS Registry Number 124996-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-8(13)16-7-9-11(2,3)10(14)5-6-12(9,4)15/h9-10,14-15H,5-7H2,1-4H3
InChIKey WMAOTDVMEGMGEK-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES OC1C(C(C(CC1)(O)C)COC(=O)C)(C)C
SPLASH splash10-0udl-9600000000-839c1d23ca07809abdac
Source of Spectrum H-72-499-5
Wiley ID 1231653