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(3,4-methylenedioxy-phenyl)(tert-butyl)acetylene
SpectraBase Compound ID HHJKmeIuHrQ
InChI InChI=1S/C13H14O2/c1-13(2,3)7-6-10-4-5-11-12(8-10)15-9-14-11/h4-5,8H,9H2,1-3H3
InChIKey VFMCWZZKFVRCEY-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azr7Wr5naJk
Name (3,4-methylenedioxy-phenyl)(tert-butyl)acetylene
Appearance Off-white solid
Carrier Gas Helium
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Exact Mass 202.099379689 u
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-13(2,3)7-6-10-4-5-11-12(8-10)15-9-14-11/h4-5,8H,9H2,1-3H3
InChIKey VFMCWZZKFVRCEY-UHFFFAOYSA-N
Instrument Name Agilent HP-5890-5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800651
Molecular Weight 202.253 g/mol
Quality 91
Reported Formula C13H14O2
SMILES C(#CC(C)(C)C)C1=CC=C2C(=C1)OCO2
SPLASH splash10-000i-0930000000-be843fbb9a1667f340a7
Source of Spectrum K1-2018-SM20-3v (DOI: 10.1002/ejoc.201800651)
Wiley ID 1894304