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(2aS/R,6aS/R,10aR/S,10bS/R)-9,9,10b-trimethyl-1,6,6a,7,9,10,10a,10b-octahydro-2H-cyclobuta[4,5]indeno[5,6-d][1,3]dioxine
SpectraBase Compound ID 346pH0p8D9I
InChI InChI=1S/C16H22O2/c1-14(2)7-11-6-12-9-17-10-18-16(12)5-4-15(16,3)13(11)8-14/h4-5,7,12-13H,6,8-10H2,1-3H3/t12-,13+,15-,16-/m0/s1
InChIKey LPSYZVUXNGJVRV-XRGAULLZSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZTpadlDX3f
Name (2aS/R,6aS/R,10aR/S,10bS/R)-9,9,10b-trimethyl-1,6,6a,7,9,10,10a,10b-octahydro-2H-cyclobuta[4,5]indeno[5,6-d][1,3]dioxine
Appearance Colorless crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-14(2)7-11-6-12-9-17-10-18-16(12)5-4-15(16,3)13(11)8-14/h4-5,7,12-13H,6,8-10H2,1-3H3/t12-,13+,15-,16-/m0/s1
InChIKey LPSYZVUXNGJVRV-XRGAULLZSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201908619
Molecular Weight 246.350 g/mol
SMILES [C@@]12([C@]3([C@@]4([C@@](CC1=CC(C2)(C)C)(COCO4)[H])C=C3)C)[H]
SPLASH splash10-05di-0490000000-8d98f80645005eb03774
Source of Spectrum ACI-58-SM14-11
Thin-Layer Chromatography Rf = 0.40 (P/MTBE, 20:1)
Wiley ID 1875575