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3-Chloranyl-4-(3,4-dimethoxyphenyl)-2-oxidanyl-cyclobut-2-en-1-one

View entire compound with spectra: 1 MS (GC)

3-Chloranyl-4-(3,4-dimethoxyphenyl)-2-oxidanyl-cyclobut-2-en-1-one
SpectraBase Compound ID 8itbk8FkpRF
InChI InChI=1S/C12H11ClO4/c1-16-7-4-3-6(5-8(7)17-2)9-10(13)12(15)11(9)14/h3-5,9,15H,1-2H3
InChIKey WZCPKRWMQJBOBC-UHFFFAOYSA-N
Mol Weight 254.67 g/mol
Molecular Formula C12H11ClO4
Exact Mass 254.034587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9t36UwMIb7F
Name 3-Chloranyl-4-(3,4-dimethoxyphenyl)-2-oxidanyl-cyclobut-2-en-1-one
Alternate Name(s) 3-Chloro-4-(3,4-dimethoxyphenyl)-2-hydroxy-1-cyclobut-2-enone 3-Chloro-4-(3,4-dimethoxyphenyl)-2-hydroxy-cyclobut-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClO4
InChI InChI=1S/C12H11ClO4/c1-16-7-4-3-6(5-8(7)17-2)9-10(13)12(15)11(9)14/h3-5,9,15H,1-2H3
InChIKey WZCPKRWMQJBOBC-UHFFFAOYSA-N
Molecular Weight 254.669 g/mol
SMILES OC1=C(Cl)C(C1=O)c1cc(OC)c(cc1)OC
SPLASH splash10-0w2c-0790000000-7cd934dae639167798ed
Source of Spectrum J-61-2090-8
Wiley ID 1257345