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(1R,2'S,5'S)-(2',5'-Dihydroxy-2',6',6'-trimethyl)cyclohexylmethyl acetate
SpectraBase Compound ID 2Mc2W2MliCW
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/t9-,10-,12-/m0/s1
InChIKey WMAOTDVMEGMGEK-NHCYSSNCSA-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 Lt6B7o8NE4v
Name (1R,2'S,5'S)-(2',5'-Dihydroxy-2',6',6'-trimethyl)cyclohexylmethyl acetate
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/t9-,10-,12-/m0/s1
InChIKey WMAOTDVMEGMGEK-NHCYSSNCSA-N
Molecular Weight 230.304 g/mol
SMILES O[C@@]1(C([C@@]([C@](CC1)(O)C)(COC(=O)C)[H])(C)C)[H]
SPLASH splash10-0udl-8900000000-0f5694234082d05f0831
Source of Spectrum F-50-13244-8
Synonyms (2',5'-Dihydroxy-2',6',6'-trimethyl)cyclohexylmethyl acetate Acetic acid (1R,3S,6S)-3,6-dihydroxy-2,2,6-trimethyl-cyclohexylmethyl ester [(1R,3S,6S)-3,6-dihydroxy-2,2,6-trimethylcyclohexyl]methyl acetate
Wiley ID 790091