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4-methyl-1,3-dihydro-2-benzoxepine
SpectraBase Compound ID G0Ew4RIgN6W
InChI InChI=1S/C11H12O/c1-9-6-10-4-2-3-5-11(10)8-12-7-9/h2-6H,7-8H2,1H3
InChIKey LDMNMWNRCIVGBE-UHFFFAOYSA-N
Mol Weight 160.22 g/mol
Molecular Formula C11H12O
Exact Mass 160.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQMNFFn2wIh
Name 4-methyl-1,3-dihydro-2-benzoxepine
Appearance Colorless volatile liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 160.088815005 u
Formula C11H12O
InChI InChI=1S/C11H12O/c1-9-6-10-4-2-3-5-11(10)8-12-7-9/h2-6H,7-8H2,1H3
InChIKey LDMNMWNRCIVGBE-UHFFFAOYSA-N
Instrument Name HP-5989
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602366
Molecular Weight 160.216 g/mol
Quality 73
Reported Formula C11H12O
SMILES C1=CC2=C(C=C1)COCC(=C2)C
SPLASH splash10-0005-5900000000-b1642d57e0a11095a672
Source of Spectrum QE-22-SM36-3k (DOI: 10.1002/chem.201602366)
Wiley ID 1904969