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(1as,2R,6R,7R,7ar,7br)-7,7A-Dimethyl-1A-prop-1-en-2-yl-2,4,5,6,7,7B-hexahydronaphtho[1,2-B]oxirene-2,6-diol, 2me derivative

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(1as,2R,6R,7R,7ar,7br)-7,7A-Dimethyl-1A-prop-1-en-2-yl-2,4,5,6,7,7B-hexahydronaphtho[1,2-B]oxirene-2,6-diol, 2me derivative
SpectraBase Compound ID IEPgKMGGSak
InChI InChI=1S/C17H26O3/c1-10(2)17-14(19-6)9-12-7-8-13(18-5)11(3)16(12,4)15(17)20-17/h9,11,13-15H,1,7-8H2,2-6H3/t11-,13+,14+,15+,16+,17-/m0/s1
InChIKey ABXKVJGKUTWQKA-HJHUUBBFSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ycXC6MeTRZ
Name (1as,2R,6R,7R,7ar,7br)-7,7A-Dimethyl-1A-prop-1-en-2-yl-2,4,5,6,7,7B-hexahydronaphtho[1,2-B]oxirene-2,6-diol, 2me derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.188194694 u
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-10(2)17-14(19-6)9-12-7-8-13(18-5)11(3)16(12,4)15(17)20-17/h9,11,13-15H,1,7-8H2,2-6H3/t11-,13+,14+,15+,16+,17-/m0/s1
InChIKey ABXKVJGKUTWQKA-HJHUUBBFSA-N
Molecular Weight 278.392 g/mol
SMILES C[C@@]1([C@@]2(C)[C@@]3([C@](C(C)=C)([C@](OC)(C=C2CC[C@]1(OC)[H])[H])O3)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9405