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Ethyl 6-Acetyl-2,3-dihydro-7-methyl-3-phenyloxepine-2-carboxylate
SpectraBase Compound ID ByWlp38aG2l
InChI InChI=1S/C18H20O4/c1-4-21-18(20)17-16(14-8-6-5-7-9-14)11-10-15(12(2)19)13(3)22-17/h5-11,16-17H,4H2,1-3H3
InChIKey TWTNHDOSWFFUBN-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnO2jcaZ00v
Name Ethyl 6-Acetyl-2,3-dihydro-7-methyl-3-phenyloxepine-2-carboxylate
Alternate Name(s) Ethyl 6-acetyl-7-methyl-3-phenyl-2,3-dihydrooxepine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-4-21-18(20)17-16(14-8-6-5-7-9-14)11-10-15(12(2)19)13(3)22-17/h5-11,16-17H,4H2,1-3H3
InChIKey TWTNHDOSWFFUBN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200004
Molecular Weight 300.354 g/mol
SMILES C1(OC(=C(C=CC1c1ccccc1)C(=O)C)C)C(=O)OCC
SPLASH splash10-0k9m-1921000000-cfa549ceee094921be56
Source of Spectrum H-95-1422-16e_13
Wiley ID 1784405