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1,3-Benzodioxole, 5-[(phenylthio)methyl]-
SpectraBase Compound ID EFB062hGxjw
InChI InChI=1S/C14H12O2S/c1-2-4-12(5-3-1)17-9-11-6-7-13-14(8-11)16-10-15-13/h1-8H,9-10H2
InChIKey FAYJVIDGZQQYJC-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C14H12O2S
Exact Mass 244.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KY5XP1gSaci
Name 1,3-Benzodioxole, 5-[(phenylthio)methyl]-
CAS Registry Number 103844-15-1
Comments Less than 3 mono-isotopic peaks
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Formula C14H12O2S
InChI InChI=1S/C14H12O2S/c1-2-4-12(5-3-1)17-9-11-6-7-13-14(8-11)16-10-15-13/h1-8H,9-10H2
InChIKey FAYJVIDGZQQYJC-UHFFFAOYSA-N
Molecular Weight 244.308 g/mol
SMILES c12c(OCO2)ccc(c1)CSc1ccccc1
SPLASH splash10-000i-0910000000-1a4d263354b1128dfbda
Source of Spectrum KC-1988-1621-0
Synonyms 1,3-Benzodioxol-5-ylmethyl phenyl sulfide 5-[(phenylthio)methyl]-1,3-benzodioxole 5-((Phenylthio)methyl)benzo[d][1,3]dioxole 5-(phenylsulfanylmethyl)-1,3-benzodioxole
Wiley ID 1247023