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3-(1-Benzothien-3-yl)-1-(2-ethoxyphenyl)-2-propen-1-one
SpectraBase Compound ID KMNG3eTLsQ6
InChI InChI=1S/C19H16O2S/c1-2-21-18-9-5-3-8-16(18)17(20)12-11-14-13-22-19-10-6-4-7-15(14)19/h3-13H,2H2,1H3/b12-11+
InChIKey CLZSCBGAJWDOQB-VAWYXSNFSA-N
Mol Weight 308.4 g/mol
Molecular Formula C19H16O2S
Exact Mass 308.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhQQG0vzSfJ
Name 3-(1-Benzothien-3-yl)-1-(2-ethoxyphenyl)-2-propen-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O2S
InChI InChI=1S/C19H16O2S/c1-2-21-18-9-5-3-8-16(18)17(20)12-11-14-13-22-19-10-6-4-7-15(14)19/h3-13H,2H2,1H3/b12-11+
InChIKey CLZSCBGAJWDOQB-VAWYXSNFSA-N
Instrument Name Hewlett-Packard 5890-5970
Ionization Type EI
Literature Reference DOI 10.1021/jm501848m
Molecular Weight 308.395 g/mol
SMILES c1cc(c(cc1)OCC)C(=O)\C=C\c1c2c(sc1)cccc2
SPLASH splash10-006y-5901000000-cd707b2e7fd51a989b73
Source of Spectrum AF-58-1251-14
Wiley ID 1865550