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5-Methoxy-2,2-dimethyl-7-pentylchroman-4-one
SpectraBase Compound ID 8YG6db8yb7u
InChI InChI=1S/C17H24O3/c1-5-6-7-8-12-9-14(19-4)16-13(18)11-17(2,3)20-15(16)10-12/h9-10H,5-8,11H2,1-4H3
InChIKey OSPHQBHEZGPNMT-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOwJYaPz0r8
Name 5-Methoxy-2,2-dimethyl-7-pentylchroman-4-one
Appearance Colorless oil
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Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-5-6-7-8-12-9-14(19-4)16-13(18)11-17(2,3)20-15(16)10-12/h9-10H,5-8,11H2,1-4H3
InChIKey OSPHQBHEZGPNMT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/open.202000343
Molecular Weight 276.376 g/mol
Reported Formula C17H24O3
SMILES c1c(c2c(cc1CCCCC)OC(CC2=O)(C)C)OC
SPLASH splash10-03mi-4690000000-d43158ddd7779fb2fbc7
Source of Spectrum CHO-10-SM9-17b
Thin-Layer Chromatography Rf = 0.24 (CH/EtOAc, 3:1)
Wiley ID 1865936