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2,2-DIMETHYL-5-HYDROXY-7-PENTYLCHROMAN-4-ONE
SpectraBase Compound ID LyOhygnxFxF
InChI InChI=1S/C16H22O3/c1-4-5-6-7-11-8-12(17)15-13(18)10-16(2,3)19-14(15)9-11/h8-9,17H,4-7,10H2,1-3H3
InChIKey QGXPGVCOVFFYDF-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUuQFfr4icr
Name 5-Hydroxy-2,2-dimethyl-7-pentylchroman-4-one
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-4-5-6-7-11-8-12(17)15-13(18)10-16(2,3)19-14(15)9-11/h8-9,17H,4-7,10H2,1-3H3
InChIKey QGXPGVCOVFFYDF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/open.202000343
Molecular Weight 262.349 g/mol
Reported Formula C16H22O3
SMILES Oc1cc(cc2c1C(=O)CC(O2)(C)C)CCCCC
SPLASH splash10-052f-9010000000-c1e2896c850b74b966b5
Source of Spectrum CHO-10-SM7-16b
Thin-Layer Chromatography Rf = 0.42 (CH/EtOAc, 10:1)
Wiley ID 1865934