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2-(4-methoxy-1,3-benzodioxol-5-yl)acetonitrile
SpectraBase Compound ID k7LKd42UmZ
InChI InChI=1S/C10H9NO3/c1-12-9-7(4-5-11)2-3-8-10(9)14-6-13-8/h2-3H,4,6H2,1H3
InChIKey XBPOJZMTUBBJPY-UHFFFAOYSA-N
Mol Weight 191.19 g/mol
Molecular Formula C10H9NO3
Exact Mass 191.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IweadfNvtsm
Name 2-(4-methoxy-1,3-benzodioxol-5-yl)acetonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C10H9NO3
InChI InChI=1S/C10H9NO3/c1-12-9-7(4-5-11)2-3-8-10(9)14-6-13-8/h2-3H,4,6H2,1H3
InChIKey XBPOJZMTUBBJPY-UHFFFAOYSA-N
Molecular Weight 191.186 g/mol
SMILES c12c(c(CC#N)ccc2OCO1)OC
SPLASH splash10-0006-0900000000-38e185116979e992870a
Source of Spectrum H1-43-1782-5
Synonyms 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanenitrile
Wiley ID 757837