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3-(3-Butenyl)-(4-methoxyphenyl)benzo[b]thiophene
SpectraBase Compound ID 95hvromSbqy
InChI InChI=1S/C19H18OS/c1-3-4-7-17-16-8-5-6-9-18(16)21-19(17)14-10-12-15(20-2)13-11-14/h3,5-6,8-13H,1,4,7H2,2H3
InChIKey NKVKYYZFIWWFNF-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C19H18OS
Exact Mass 294.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AICCI8RCpWQ
Name 3-(3-Butenyl)-(4-methoxyphenyl)benzo[b]thiophene
Appearance Colorless oil
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Exact Mass 294.107836373 u
Formula C19H18OS
InChI InChI=1S/C19H18OS/c1-3-4-7-17-16-8-5-6-9-18(16)21-19(17)14-10-12-15(20-2)13-11-14/h3,5-6,8-13H,1,4,7H2,2H3
InChIKey NKVKYYZFIWWFNF-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201608667
Molecular Weight 294.412 g/mol
Quality 82
Reported Formula C19H18OS
SMILES C1=CC2=C(C=C1)SC(=C2CCC=C)C1=CC=C(C=C1)OC
SPLASH splash10-0udl-0190000000-194d206ec3c6c85edc02
Source of Spectrum ACI-55-SM15-7ga (DOI: 10.1002/anie.201608667)
Thin-Layer Chromatography 0.45 (hexane/ethyl acetate, 19:1)
Wiley ID 1899383