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2,5-Cyclohexadien-1-one, 6-(chloromethyl)-3-hydroxy-2-methoxy-4,4-dimethyl-
SpectraBase Compound ID KYhi4Ad8sak
InChI InChI=1S/C10H13ClO3/c1-10(2)4-6(5-11)7(12)8(14-3)9(10)13/h4,13H,5H2,1-3H3
InChIKey KAPSRJSSWMANAI-UHFFFAOYSA-N
Mol Weight 216.66 g/mol
Molecular Formula C10H13ClO3
Exact Mass 216.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgBdTqq0QEF
Name 2,5-Cyclohexadien-1-one, 6-(chloromethyl)-3-hydroxy-2-methoxy-4,4-dimethyl-
Alternate Name(s) 6-(chloromethyl)-3-hydroxy-2-methoxy-4,4-dimethyl-2,5-cyclohexadien-1-one 6-Chloromethyl-3-hydroxy-2-methoxy-4,4-dimethyl-2,5-cyclohexadienone
CAS Registry Number 57825-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13ClO3
InChI InChI=1S/C10H13ClO3/c1-10(2)4-6(5-11)7(12)8(14-3)9(10)13/h4,13H,5H2,1-3H3
InChIKey KAPSRJSSWMANAI-UHFFFAOYSA-N
Molecular Weight 216.664 g/mol
SMILES OC1=C(C(C(=CC1(C)C)CCl)=O)OC
SPLASH splash10-00lr-9400000000-66c79181764061817030
Source of Spectrum AN-84-391-0
Wiley ID 1215128