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2-Benzyl-5-acetylthiophene
SpectraBase Compound ID DlJ4PQdAs2p
InChI InChI=1S/C13H12OS/c1-10(14)13-8-7-12(15-13)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey ZARLDFJGADJLPN-UHFFFAOYSA-N
Mol Weight 216.3 g/mol
Molecular Formula C13H12OS
Exact Mass 216.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkL3zmlmosf
Name 2-Benzyl-5-acetylthiophene
Alternate Name(s) 1-(5-benzylthiophen-2-yl)ethanone 1-[5-(phenylmethyl)-2-thiophenyl]ethanone 1-[5-(phenylmethyl)thiophen-2-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12OS
InChI InChI=1S/C13H12OS/c1-10(14)13-8-7-12(15-13)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey ZARLDFJGADJLPN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702291r
Molecular Weight 216.298 g/mol
SMILES c1cc(ccc1)Cc1ccc(s1)C(C)=O
SPLASH splash10-0v4i-0390000000-0f4c21fdcf3b11331775
Source of Spectrum A1-9-5397/SMS7-11
Wiley ID 1758801