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2-Phenylbenzo[b]thiophen-3-yl benzoate

View entire compound with spectra: 1 MS (GC)

2-Phenylbenzo[b]thiophen-3-yl benzoate
SpectraBase Compound ID JwNJIAKiK31
InChI InChI=1S/C21H14O2S/c22-21(16-11-5-2-6-12-16)23-19-17-13-7-8-14-18(17)24-20(19)15-9-3-1-4-10-15/h1-14H
InChIKey HQYFOHJIEWWLBK-UHFFFAOYSA-N
Mol Weight 330.4 g/mol
Molecular Formula C21H14O2S
Exact Mass 330.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID an0WeCzmlf
Name 2-Phenylbenzo[b]thiophen-3-yl benzoate
Alternate Name(s) Benzoic acid (2-phenyl-1-benzothiophen-3-yl) ester (2-phenylbenzothiophen-3-yl) benzoate (2-phenyl-1-benzothiophen-3-yl) benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14O2S
InChI InChI=1S/C21H14O2S/c22-21(16-11-5-2-6-12-16)23-19-17-13-7-8-14-18(17)24-20(19)15-9-3-1-4-10-15/h1-14H
InChIKey HQYFOHJIEWWLBK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201062r
Molecular Weight 330.401 g/mol
SMILES c1ccc2sc(-c3ccccc3)c(c2c1)OC(c1ccccc1)=O
SPLASH splash10-0a59-0809000000-1f8a728533d86c895c9c
Source of Spectrum A1-13-2970/SMS21-2a
Wiley ID 1753271