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5-Methoxy-4-(hydroxymethyl)-6-(2'-propenyl)-1,3-benzodioxole
SpectraBase Compound ID FwrgHmOWrZc
InChI InChI=1S/C19H28O4/c1-3-5-6-7-8-9-11-15(20)17-18(21)14(10-4-2)12-16-19(17)23-13-22-16/h4,12,15,20-21H,2-3,5-11,13H2,1H3
InChIKey OBRXXHBJDCFABA-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81oEahydq8a
Name 5-Methoxy-4-(hydroxymethyl)-6-(2'-propenyl)-1,3-benzodioxole
Comments Less than 3 mono-isotopic peaks
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Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-3-5-6-7-8-9-11-15(20)17-18(21)14(10-4-2)12-16-19(17)23-13-22-16/h4,12,15,20-21H,2-3,5-11,13H2,1H3
InChIKey OBRXXHBJDCFABA-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES Oc1c(cc2c(c1C(O)CCCCCCCC)OCO2)CC=C
SPLASH splash10-00di-0309000000-bbb2b865e3c75591dcb2
Source of Spectrum I-78-1354-27
Synonyms 5-Hydroxy-4-(1-hydroxynonyl)-6-(2'-propenyl)-1,3-benzodioxole 4-(1-hydroxynonyl)-6-prop-2-enyl-1,3-benzodioxol-5-ol 6-allyl-4-(1-hydroxynonyl)-1,3-benzodioxol-5-ol 4-(1-oxidanylnonyl)-6-prop-2-enyl-1,3-benzodioxol-5-ol
Wiley ID 812818