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COCHINCHINENONE;4-HYDROXY-4-[3-(4-HYDROXYPHENYL)-3-OXOPROPYL]-3,5-DIMETHOXYCYCLOHEXA-2,5-DIENONE
SpectraBase Compound ID 1MShHVfvG6n
InChI InChI=1S/C17H18O6/c1-22-15-9-13(19)10-16(23-2)17(15,21)8-7-14(20)11-3-5-12(18)6-4-11/h3-6,9-10,18,21H,7-8H2,1-2H3
InChIKey WHNYFVUMAYSMKK-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72ApuyM3pTm
Name 4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxycyclohexa-2,5-dienone
Appearance Pale red gum
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Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-22-15-9-13(19)10-16(23-2)17(15,21)8-7-14(20)11-3-5-12(18)6-4-11/h3-6,9-10,18,21H,7-8H2,1-2H3
InChIKey WHNYFVUMAYSMKK-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np070260v
Molecular Weight 318.325 g/mol
Reported Formula C17H18O6
SMILES OC1(CCC(c2ccc(cc2)O)=O)C(=CC(C=C1OC)=O)OC
SPLASH splash10-00di-0900000000-01b73af30a618b90ac0f
Source of Spectrum G4-70-1576-8
Synonyms Cochinchinenone
Wiley ID 1874340