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benzyl 2,3,4-trihydroxy-6-pentylbenzoate

View entire compound with spectra: 1 MS (GC)

benzyl 2,3,4-trihydroxy-6-pentylbenzoate
SpectraBase Compound ID DFBw8ocZFGV
InChI InChI=1S/C19H22O5/c1-2-3-5-10-14-11-15(20)17(21)18(22)16(14)19(23)24-12-13-8-6-4-7-9-13/h4,6-9,11,20-22H,2-3,5,10,12H2,1H3
InChIKey VTJRBXOAFYFATK-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C19H22O5
Exact Mass 330.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4a6AvDzesrg
Name benzyl 2,3,4-trihydroxy-6-pentylbenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H22O5
InChI InChI=1S/C19H22O5/c1-2-3-5-10-14-11-15(20)17(21)18(22)16(14)19(23)24-12-13-8-6-4-7-9-13/h4,6-9,11,20-22H,2-3,5,10,12H2,1H3
InChIKey VTJRBXOAFYFATK-UHFFFAOYSA-N
Molecular Weight 330.380 g/mol
SMILES Oc1c(cc(c(c1O)C(OCc1ccccc1)=O)CCCCC)O
SPLASH splash10-0006-9003000000-a661b41c215014a36e07
Source of Spectrum JA-50-479-0
Wiley ID 1327962