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Ethyl 5-(4-Methoxyphenyl)benzo[b]oxepine-2-carboxylate
SpectraBase Compound ID Ekm4QVX2zzw
InChI InChI=1S/C20H18O4/c1-3-23-20(21)19-13-12-16(14-8-10-15(22-2)11-9-14)17-6-4-5-7-18(17)24-19/h4-13H,3H2,1-2H3
InChIKey GHHCOTDEOHQHBU-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhvLfApQz3R
Name Ethyl 5-(4-Methoxyphenyl)benzo[b]oxepine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-3-23-20(21)19-13-12-16(14-8-10-15(22-2)11-9-14)17-6-4-5-7-18(17)24-19/h4-13H,3H2,1-2H3
InChIKey GHHCOTDEOHQHBU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b02413
Molecular Weight 322.360 g/mol
SMILES c12OC(=CC=C(c2cccc1)c1ccc(cc1)OC)C(=O)OCC
SPLASH splash10-0a6s-0490000000-b2a3bc94944bf4454eb5
Source of Spectrum J-81-2132-8e
Wiley ID 1804355