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3-(4-(Tert-butyl)phenyl)acrylonitrile
SpectraBase Compound ID 8kEyymKc8qr
InChI InChI=1S/C13H15N/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-9H,1-3H3
InChIKey RHJOZPXSHJYHJF-UHFFFAOYSA-N
Mol Weight 185.27 g/mol
Molecular Formula C13H15N
Exact Mass 185.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YyoaqsmYRp
Name 3-(4-(Tert-butyl)phenyl)acrylonitrile
Appearance Brownish oil
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Formula C13H15N
InChI InChI=1S/C13H15N/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-9H,1-3H3
InChIKey RHJOZPXSHJYHJF-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 185.270 g/mol
Reported Formula C13H15N
SMILES c1c(ccc(c1)C=CC#N)C(C)(C)C
SPLASH splash10-00di-0900000000-a8ca20ce193a93567fac
Sample Comments E/Z = 79:21
Source of Spectrum ACI-60-SM54-5d
Wiley ID 1880405