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1-(2,6-Dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one
SpectraBase Compound ID KR2oZbQIVIx
InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2
InChIKey HCOZRFYGIFMIEX-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9c7mFeq0NLq
Name 1-(2,6-Dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one
Alternate Name(s) 1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)-1-nonanone 1-[2,6-bis(oxidanyl)phenyl]-9-[3,4-bis(oxidanyl)phenyl]nonan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H26O5
InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2
InChIKey HCOZRFYGIFMIEX-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES Oc1c(cc(CCCCCCCCC(c2c(cccc2O)O)=O)cc1)O
SPLASH splash10-052r-0907000000-b2f8dbd5967cd3fa9fc3
Source of Spectrum E1-39-22-1
Wiley ID 1518645