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1-(4-Methoxyphenyl)-2-[(1R,3S)-2,2,3-trimethylcyclopent-1-yl]ethan-1-one
SpectraBase Compound ID IK2FEvaDlck
InChI InChI=1S/C17H24O2/c1-12-5-8-14(17(12,2)3)11-16(18)13-6-9-15(19-4)10-7-13/h6-7,9-10,12,14H,5,8,11H2,1-4H3/t12-,14+/m0/s1
InChIKey XGONSRYZSHKXFB-GXTWGEPZSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8cQrWBJASh
Name 1-(4-Methoxyphenyl)-2-[(1R,3S)-2,2,3-trimethylcyclopent-1-yl]ethan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.177630011 u
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-12-5-8-14(17(12,2)3)11-16(18)13-6-9-15(19-4)10-7-13/h6-7,9-10,12,14H,5,8,11H2,1-4H3/t12-,14+/m0/s1
InChIKey XGONSRYZSHKXFB-GXTWGEPZSA-N
Molecular Weight 260.377 g/mol
SMILES CC1(C)[C@](CC[C@@]1(C)[H])(CC(C1=CC=C(C=C1)OC)=O)[H]