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2-[3'-(3-Methoxyphenyl)propyl]-1,3-cyclohexanedione
SpectraBase Compound ID Dggc2HdzHma
InChI InChI=1S/C16H20O3/c1-19-13-7-2-5-12(11-13)6-3-8-14-15(17)9-4-10-16(14)18/h2,5,7,11,14H,3-4,6,8-10H2,1H3
InChIKey UKVQJERUKVFGFZ-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRD0MT3IjrU
Name 2-[3'-(3-Methoxyphenyl)propyl]-1,3-cyclohexanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-19-13-7-2-5-12(11-13)6-3-8-14-15(17)9-4-10-16(14)18/h2,5,7,11,14H,3-4,6,8-10H2,1H3
InChIKey UKVQJERUKVFGFZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo9718612
Molecular Weight 260.333 g/mol
SMILES C1(C(=O)CCCC1=O)CCCc1cc(OC)ccc1
SPLASH splash10-05fr-8900000000-8fac51a5ebd50ccec982
Source of Spectrum J-63-2871-31
Wiley ID 1264072