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Knerachelin A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Knerachelin A
SpectraBase Compound ID 6DfpZyvwXbr
InChI InChI=1S/C18H20O4/c1-22-14-11-16(20)18(17(21)12-14)15(19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12,20-21H,5-6,9-10H2,1H3
InChIKey ICBQRENZQVXEPH-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGycDQKFI7q
Name Knerachelin A
Alternate Name(s) 1-(2,6-dihydroxy-4-methoxy-phenyl)-5-phenyl-pentan-1-one 1-(2,6-dihydroxy-4-methoxyphenyl)-5-phenyl-1-pentanone 1-[4-methoxy-2,6-bis(oxidanyl)phenyl]-5-phenyl-pentan-1-one
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Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-22-14-11-16(20)18(17(21)12-14)15(19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12,20-21H,5-6,9-10H2,1H3
InChIKey ICBQRENZQVXEPH-UHFFFAOYSA-N
Molecular Weight 300.354 g/mol
SMILES Oc1c(c(cc(c1)OC)O)C(=O)CCCCc1ccccc1
SPLASH splash10-014i-2910000000-02116621cc40f721b266
Source of Spectrum X2-56-1636-1
Wiley ID 1605099