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7-(1,3-benzodioxol-5-yl)-1-heptanol

View entire compound with spectra: 2 MS (GC)

7-(1,3-benzodioxol-5-yl)-1-heptanol
SpectraBase Compound ID K9Opume8kVB
InChI InChI=1S/C14H20O3/c15-9-5-3-1-2-4-6-12-7-8-13-14(10-12)17-11-16-13/h7-8,10,15H,1-6,9,11H2
InChIKey KHZGISGHSASISA-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNG9tJkd0Wb
Name 7-(1,3-benzodioxol-5-yl)-1-heptanol
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c15-9-5-3-1-2-4-6-12-7-8-13-14(10-12)17-11-16-13/h7-8,10,15H,1-6,9,11H2
InChIKey KHZGISGHSASISA-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES OCCCCCCCc1cc2c(OCO2)cc1
SPLASH splash10-000i-0930000000-71d3bf5ae61a6c18fc63
Source of Spectrum E1-45-692-0
Synonyms 7-(1,3-benzodioxol-5-yl)heptan-1-ol
Wiley ID 1553741