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3-Hepten-2-one, 5,5-dichloro-, (E)-
SpectraBase Compound ID 9XuyfjxPi4F
InChI InChI=1S/C7H10Cl2O/c1-3-7(8,9)5-4-6(2)10/h4-5H,3H2,1-2H3/b5-4+
InChIKey JZPFXHXAUGPOFP-SNAWJCMRSA-N
Mol Weight 181.06 g/mol
Molecular Formula C7H10Cl2O
Exact Mass 180.01087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hm0DHWkRxWq
Name 3-Hepten-2-one, 5,5-dichloro-, (E)-
Alternate Name(s) (3E)-5,5-dichloro-3-hepten-2-one (E)-5,5-Dichloro-3-heptene-2-one
CAS Registry Number 65785-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10Cl2O
InChI InChI=1S/C7H10Cl2O/c1-3-7(8,9)5-4-6(2)10/h4-5H,3H2,1-2H3/b5-4+
InChIKey JZPFXHXAUGPOFP-SNAWJCMRSA-N
Molecular Weight 181.062 g/mol
SMILES C(\C=C\C(=O)C)(Cl)(Cl)CC
SPLASH splash10-0006-9400000000-fabc640c42ed78320531
Source of Spectrum AN-86-894-0
Wiley ID 1175787