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4-Iodo-3-phenoxy-2-methyl-2H-benz[b]oxepine-5-one
SpectraBase Compound ID 1zTgpk26qA1
InChI InChI=1S/C17H13IO3/c1-11-17(21-12-7-3-2-4-8-12)15(18)16(19)13-9-5-6-10-14(13)20-11/h2-11H,1H3
InChIKey AUAPEJKVMWMHRX-UHFFFAOYSA-N
Mol Weight 392.19 g/mol
Molecular Formula C17H13IO3
Exact Mass 391.990939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45Mdw8ydeoH
Name 4-Iodo-3-phenoxy-2-methyl-2H-benz[b]oxepine-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13IO3
InChI InChI=1S/C17H13IO3/c1-11-17(21-12-7-3-2-4-8-12)15(18)16(19)13-9-5-6-10-14(13)20-11/h2-11H,1H3
InChIKey AUAPEJKVMWMHRX-UHFFFAOYSA-N
Molecular Weight 392.192 g/mol
SMILES C1(=C(C(Oc2c(C1=O)cccc2)C)Oc1ccccc1)I
SPLASH splash10-016s-6591000000-0fe252920d63c2a26cf8
Source of Spectrum J-58-4888-6
Synonyms 4-iodo-2-methyl-3-phenoxy-1-benzoxepin-5(2H)-one
Wiley ID 1365619