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1-Benzoxepin-5(2H)-one, 3,4-dimethyl-
SpectraBase Compound ID LfRxxX8S7Zy
InChI InChI=1S/C12H12O2/c1-8-7-14-11-6-4-3-5-10(11)12(13)9(8)2/h3-6H,7H2,1-2H3
InChIKey KLVWLNYRARDQQF-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oP6kUKJiWu
Name 1-Benzoxepin-5(2H)-one, 3,4-dimethyl-
Alternate Name(s) 3,4-Dimethyl-1-benzoxepin-5(2H)-one
CAS Registry Number 60505-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-8-7-14-11-6-4-3-5-10(11)12(13)9(8)2/h3-6H,7H2,1-2H3
InChIKey KLVWLNYRARDQQF-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES C1(C(=C(COc2c1cccc2)C)C)=O
SPLASH splash10-000j-1900000000-fb5c4e8f4b37c6909e8e
Source of Spectrum H-59-686-32
Wiley ID 1184892