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2-(1-Butyl)-4-chloro-3-methoxy-4-(1-methylethenyl)-2-cyclobuten-1-one

View entire compound with spectra: 1 MS (GC)

2-(1-Butyl)-4-chloro-3-methoxy-4-(1-methylethenyl)-2-cyclobuten-1-one
SpectraBase Compound ID 2as5WYqGT9D
InChI InChI=1S/C12H17ClO2/c1-5-6-7-9-10(14)12(13,8(2)3)11(9)15-4/h2,5-7H2,1,3-4H3
InChIKey JNDKECQOYOZIFE-UHFFFAOYSA-N
Mol Weight 228.72 g/mol
Molecular Formula C12H17ClO2
Exact Mass 228.091707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbjuxBIJN02
Name 2-(1-Butyl)-4-chloro-3-methoxy-4-(1-methylethenyl)-2-cyclobuten-1-one
Alternate Name(s) 2-Butyl-4-chloro-4-isopropenyl-3-methoxy-2-cyclobuten-1-one
CAS Registry Number 122745-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17ClO2
InChI InChI=1S/C12H17ClO2/c1-5-6-7-9-10(14)12(13,8(2)3)11(9)15-4/h2,5-7H2,1,3-4H3
InChIKey JNDKECQOYOZIFE-UHFFFAOYSA-N
Molecular Weight 228.719 g/mol
SMILES C1(C(OC)=C(C1=O)CCCC)(C(=C)C)Cl
SPLASH splash10-00kf-7910000000-43c24a15cb66b33ea1a7
Source of Spectrum J-57-332-0
Wiley ID 1229469