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(E)-4-[(1R,2R,3R)-2,3-dihydroxy-2,6,6-trimethyl-cyclohexyl]but-3-en-2-one

View entire compound with spectra: 1 MS (GC)

(E)-4-[(1R,2R,3R)-2,3-dihydroxy-2,6,6-trimethyl-cyclohexyl]but-3-en-2-one
SpectraBase Compound ID F19ixWqgmtC
InChI InChI=1S/C13H22O3/c1-9(14)5-6-10-12(2,3)8-7-11(15)13(10,4)16/h5-6,10-11,15-16H,7-8H2,1-4H3/b6-5+/t10-,11-,13-/m1/s1
InChIKey HKMKZTZUYPMBLX-BYNAWZOMSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KK1TL4PtDpJ
Name (E)-4-[(1R,2R,3R)-2,3-dihydroxy-2,6,6-trimethyl-cyclohexyl]but-3-en-2-one
CAS Registry Number 108944-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(14)5-6-10-12(2,3)8-7-11(15)13(10,4)16/h5-6,10-11,15-16H,7-8H2,1-4H3/b6-5+/t10-,11-,13-/m1/s1
InChIKey HKMKZTZUYPMBLX-BYNAWZOMSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]1(CCC([C@]([C@]1(O)C)(\C=C\C(=O)C)[H])(C)C)[H]
SPLASH splash10-0006-9600000000-2b55d7beef6d481af84a
Source of Spectrum H-69-829-0
Synonyms (E)-4-[(1R,2R,3R)-2,3-dihydroxy-2,6,6-trimethylcyclohexyl]-3-buten-2-one (E)-4-[(1R,2R,3R)-2,6,6-trimethyl-2,3-bis(oxidanyl)cyclohexyl]but-3-en-2-one
Wiley ID 1227593