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2-Cyano-1-(2-ethynylphenyl)ethyl-acetate
SpectraBase Compound ID GECv1CEaBrS
InChI InChI=1S/C13H11NO2/c1-3-11-6-4-5-7-12(11)13(8-9-14)16-10(2)15/h1,4-7,13H,8H2,2H3
InChIKey JDSDFDKSHKYGNR-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28hiwB8shE
Name 2-Cyano-1-(2-ethynylphenyl)ethyl-acetate
Appearance Oil
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Exact Mass 213.078978596 u
Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c1-3-11-6-4-5-7-12(11)13(8-9-14)16-10(2)15/h1,4-7,13H,8H2,2H3
InChIKey JDSDFDKSHKYGNR-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602747
Molecular Weight 213.236 g/mol
Quality 348
Reported Formula C13H11NO2
SMILES C(#N)CC(C1=C(C=CC=C1)C#C)OC(C)=O
SPLASH splash10-0un9-1900000000-f6899d2b3c7a3dd26741
Source of Spectrum QE-22-SM11-15 (DOI: 10.1002/chem.201602747)
Wiley ID 1905108