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Ethyl 4-Acetyl-1,3-dihydro-3-methyl-2-benzoxepine-1-carboxylate
SpectraBase Compound ID Dc48N0HVeBR
InChI InChI=1S/C16H18O4/c1-4-19-16(18)15-13-8-6-5-7-12(13)9-14(10(2)17)11(3)20-15/h5-9,11,15H,4H2,1-3H3
InChIKey CNAYEIZSZBMABW-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ah7eEhVHQj1
Name Ethyl 4-Acetyl-1,3-dihydro-3-methyl-2-benzoxepine-1-carboxylate
Alternate Name(s) Ethyl 4-acetyl-3-methyl-1,3-dihydrobenzo[c]oxepine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-4-19-16(18)15-13-8-6-5-7-12(13)9-14(10(2)17)11(3)20-15/h5-9,11,15H,4H2,1-3H3
InChIKey CNAYEIZSZBMABW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200004
Molecular Weight 274.316 g/mol
SMILES C1(OC(c2c(C=C1C(=O)C)cccc2)C(=O)OCC)C
SPLASH splash10-0a4l-0950000000-1739c123597a8caed5ec
Source of Spectrum H-95-1422-15f_13
Wiley ID 1784388