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7,9-dichloro-3-isopropylidene-1-benzoxepine
SpectraBase Compound ID 64Ix9EdjMyN
InChI InChI=1S/C13H12Cl2O/c1-8(2)10-4-3-9-5-11(14)6-12(15)13(9)16-7-10/h3-6H,7H2,1-2H3
InChIKey XPVVZAFJHZRGBL-UHFFFAOYSA-N
Mol Weight 255.14 g/mol
Molecular Formula C13H12Cl2O
Exact Mass 254.02652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOu2BGgoh7N
Name 7,9-dichloro-3-isopropylidene-1-benzoxepine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.026520405 u
Formula C13H12Cl2O
InChI InChI=1S/C13H12Cl2O/c1-8(2)10-4-3-9-5-11(14)6-12(15)13(9)16-7-10/h3-6H,7H2,1-2H3
InChIKey XPVVZAFJHZRGBL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700600
Molecular Weight 255.144 g/mol
Quality 5
SMILES C=1(C=C(C=2OCC(=C(C)C)C=CC2C1)Cl)Cl
SPLASH splash10-0002-0900000000-595b491ccd1c37011ab7
Source of Spectrum QE-23-SM78-6b (DOI: 10.1002/chem.201700600)
Wiley ID 1905523