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2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-
SpectraBase Compound ID Cu1zxdQHnCj
InChI InChI=1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3/b5-4+
InChIKey ICSATJUWLAEQQU-SNAWJCMRSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYcTbscTLIF
Name (E)-3-(4-tert-butylphenyl)-2-propenal
Alternate Name(s) (E)-3-(4-tert-butylphenyl)acrolein (E)-3-(4-tert-butylphenyl)prop-2-enal 3-(4-tert-butylphenyl)-2-propenal
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Formula C13H16O
InChI InChI=1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3/b5-4+
InChIKey ICSATJUWLAEQQU-SNAWJCMRSA-N
Molecular Weight 188.270 g/mol
SMILES CC(C)(C)c1ccc(cc1)\C=C\C=O
SPLASH splash10-0089-3900000000-c33853a8ac0210e2f25f
Wiley ID 1472065