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methyl 3-(4-cyanophenyl)prop-2-ynoate
SpectraBase Compound ID 53b1qf962XT
InChI InChI=1S/C11H7NO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-5H,1H3
InChIKey MPXFSOLUZRIVSN-UHFFFAOYSA-N
Mol Weight 185.18 g/mol
Molecular Formula C11H7NO2
Exact Mass 185.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM63p5CinNX
Name methyl 3-(4-cyanophenyl)prop-2-ynoate
Appearance Pale yellow solid
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Exact Mass 185.047678467 u
Formula C11H7NO2
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C11H7NO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-5H,1H3
InChIKey MPXFSOLUZRIVSN-UHFFFAOYSA-N
Instrument Name GC-MS Agilent 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800526
Molecular Weight 185.182 g/mol
Quality 295
SMILES COC(C#CC1=CC=C(C=C1)C#N)=O
SPLASH splash10-0udi-1900000000-49631f0bab420e0036e7
Source of Spectrum QE-24-SM10-3o (DOI: 10.1002/chem.201800526)
Wiley ID 1900214