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3,4-Methylenedioxyphenol
SpectraBase Compound ID HP5CPAE6O6
InChI InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
InChIKey LUSZGTFNYDARNI-UHFFFAOYSA-N
Mol Weight 138.12 g/mol
Molecular Formula C7H6O3
Exact Mass 138.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J77mCtaIljC
Name Sesamol
Source of Sample SAFC Cat.no. S3003
CAS Registry Number 533-31-3
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 138.031694050 u
Formula C7H6O3
InChI InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
InChIKey LUSZGTFNYDARNI-UHFFFAOYSA-N
Molecular Weight 138.122 g/mol
Number of Peaks 47
RI1 1318
RI2 995
SMILES Oc1ccc2c(c1)OCO2
SPLASH splash10-000i-6900000000-7e8ebf8ed26926826278
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,3-Benzodioxol-5-ol
Wiley ID LM_FFNSC3_1864