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5H-Inden-5-one, octahydro-4-[2-(3-methoxyphenyl)ethyl]-7a-methyl-1-methylene-, [3aR-(3a.alpha.,4.alpha.,7a.beta.)]-
SpectraBase Compound ID FqjwvWt72it
InChI InChI=1S/C20H26O2/c1-14-7-10-18-17(19(21)11-12-20(14,18)2)9-8-15-5-4-6-16(13-15)22-3/h4-6,13,17-18H,1,7-12H2,2-3H3
InChIKey WPPDZBWGPOFFKS-UHFFFAOYSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7x1pqm483TV
Name 5H-Inden-5-one, octahydro-4-[2-(3-methoxyphenyl)ethyl]-7A-methyl-1-methylene-, [3ar-(3A.alpha.,4.alpha.,7A.beta.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-14-7-10-18-17(19(21)11-12-20(14,18)2)9-8-15-5-4-6-16(13-15)22-3/h4-6,13,17-18H,1,7-12H2,2-3H3
InChIKey WPPDZBWGPOFFKS-UHFFFAOYSA-N
SMILES C12(C(C(CCC=3C=C(OC)C=CC3)C(CC1)=O)CCC2=C)C