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Ethyl 5-(Thiophen-3-yl)benzo[b]oxepine-2-carboxylate
SpectraBase Compound ID 5drgoXPQWLr
InChI InChI=1S/C17H14O3S/c1-2-19-17(18)16-8-7-13(12-9-10-21-11-12)14-5-3-4-6-15(14)20-16/h3-11H,2H2,1H3
InChIKey ZQANTBRFMPPNGS-UHFFFAOYSA-N
Mol Weight 298.36 g/mol
Molecular Formula C17H14O3S
Exact Mass 298.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KK861tVe7p
Name Ethyl 5-(Thiophen-3-yl)benzo[b]oxepine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O3S
InChI InChI=1S/C17H14O3S/c1-2-19-17(18)16-8-7-13(12-9-10-21-11-12)14-5-3-4-6-15(14)20-16/h3-11H,2H2,1H3
InChIKey ZQANTBRFMPPNGS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b02413
Molecular Weight 298.356 g/mol
SMILES c12OC(=CC=C(c2cccc1)c1cscc1)C(=O)OCC
SPLASH splash10-0002-0960000000-eb5957a54d9423424a4c
Source of Spectrum J-81-2132-8k
Wiley ID 1804361