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1-Cyclopropyl-3,5-dimethoxy-4,4-dimethyl-6-(4-methylphenyl)sulfanyl-hexan-1-one

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1-Cyclopropyl-3,5-dimethoxy-4,4-dimethyl-6-(4-methylphenyl)sulfanyl-hexan-1-one
SpectraBase Compound ID ARCLtGKJ1a3
InChI InChI=1S/C20H30O3S/c1-14-6-10-16(11-7-14)24-13-19(23-5)20(2,3)18(22-4)12-17(21)15-8-9-15/h6-7,10-11,15,18-19H,8-9,12-13H2,1-5H3
InChIKey LUBWWPHYKGTRBN-UHFFFAOYSA-N
Mol Weight 350.52 g/mol
Molecular Formula C20H30O3S
Exact Mass 350.191566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EofiaDovDPM
Name 1-Cyclopropyl-3,5-dimethoxy-4,4-dimethyl-6-(4-methylphenyl)sulfanyl-hexan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.191565997 u
Formula C20H30O3S
InChI InChI=1S/C20H30O3S/c1-14-6-10-16(11-7-14)24-13-19(23-5)20(2,3)18(22-4)12-17(21)15-8-9-15/h6-7,10-11,15,18-19H,8-9,12-13H2,1-5H3
InChIKey LUBWWPHYKGTRBN-UHFFFAOYSA-N
Molecular Weight 350.517 g/mol
SMILES C(C(CC(C1CC1)=O)OC)(C(CSC1=CC=C(C=C1)C)OC)(C)C