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3-Hexen-2-one, 3-chloro-4-methoxy-5,5-dimethyl-, (E)-
SpectraBase Compound ID IjwJURt1bie
InChI InChI=1S/C9H15ClO2/c1-6(11)7(10)8(12-5)9(2,3)4/h1-5H3/b8-7-
InChIKey WTGPAEBRTVDHSX-FPLPWBNLSA-N
Mol Weight 190.67 g/mol
Molecular Formula C9H15ClO2
Exact Mass 190.076057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlHRvMjRVUa
Name 3-Hexen-2-one, 3-chloro-4-methoxy-5,5-dimethyl-, (E)-
CAS Registry Number 66695-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15ClO2
InChI InChI=1S/C9H15ClO2/c1-6(11)7(10)8(12-5)9(2,3)4/h1-5H3/b8-7-
InChIKey WTGPAEBRTVDHSX-FPLPWBNLSA-N
Molecular Weight 190.670 g/mol
SMILES C(\C(=C/(C(=O)C)Cl)OC)(C)(C)C
SPLASH splash10-0006-4900000000-4b9b7130ec9a01970916
Source of Spectrum AN-87-152-0
Synonyms (3Z)-3-chloro-4-methoxy-5,5-dimethyl-3-hexen-2-one (Z)-3-Chloro-4-methoxy-5,5-dimethyl-3-hexene-2-one
Wiley ID 1186292