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Acrylonitrile, 3-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-(thiophene-2-carbonyl)-
SpectraBase Compound ID BC76f41V0Aa
InChI InChI=1S/C19H15NO2S/c1-19(2,22)10-9-14-5-7-15(8-6-14)12-16(13-20)18(21)17-4-3-11-23-17/h3-8,11-12,22H,1-2H3/b16-12+
InChIKey IFFCGJWMXAZESO-FOWTUZBSSA-N
Mol Weight 321.39 g/mol
Molecular Formula C19H15NO2S
Exact Mass 321.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ftgm0wmo0W5
Name Acrylonitrile, 3-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-(thiophene-2-carbonyl)-
Alternate Name(s) (2E)-3-[4-(3-Hydroxy-3-methyl-1-butynyl)phenyl]-2-(2-thienylcarbonyl)-2-propenenitrile (E)-3-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-2-(2-thenoyl)acrylonitrile (E)-3-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-2-(thiophene-2-carbonyl)prop-2-enenitrile (E)-3-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile (E)-3-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile
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Formula C19H15NO2S
InChI InChI=1S/C19H15NO2S/c1-19(2,22)10-9-14-5-7-15(8-6-14)12-16(13-20)18(21)17-4-3-11-23-17/h3-8,11-12,22H,1-2H3/b16-12+
InChIKey IFFCGJWMXAZESO-FOWTUZBSSA-N
Molecular Weight 321.394 g/mol
SMILES OC(C#Cc1ccc(\C=C\(C(c2sccc2)=O)C#N)cc1)(C)C
SPLASH splash10-03di-6923000000-68d6a150f21318ee0630
Source of Spectrum AD-0-2532-0
Wiley ID 1431418