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Ethanone, 1-(3-furanyl)-2-(2-hydroxy-2,6,6-trimethylcyclohexyl)-, trans-(.+-.)-
SpectraBase Compound ID IDiYm01JPRY
InChI InChI=1S/C15H22O3/c1-14(2)6-4-7-15(3,17)13(14)9-12(16)11-5-8-18-10-11/h5,8,10,13,17H,4,6-7,9H2,1-3H3/t13?,15-/m1/s1
InChIKey WJIVUUCKKWEPLH-AWKYBWMHSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2InW41XQrSJ
Name Ethanone, 1-(3-furanyl)-2-(2-hydroxy-2,6,6-trimethylcyclohexyl)-, trans-(.+-.)-
CAS Registry Number 90987-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-14(2)6-4-7-15(3,17)13(14)9-12(16)11-5-8-18-10-11/h5,8,10,13,17H,4,6-7,9H2,1-3H3/t13?,15-/m1/s1
InChIKey WJIVUUCKKWEPLH-AWKYBWMHSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@]1(C(CC(c2cocc2)=O)C(CCC1)(C)C)C
SPLASH splash10-090s-8900000000-e6e3788f02464b202009
Source of Spectrum KC-1985-2467-24
Synonyms (+-)-1-(3-furyl)-(2.alpha.-hydroxy-2,6,6-trimethylcyclohexyl)ethanone 1-(3-furyl)-2-[(2R)-2-hydroxy-2,6,6-trimethylcyclohexyl]ethanone
Wiley ID 1253673