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3-Chloro-2-hydroxy-4-(isopropylphenyl)-2-cyclobuten-1-one

View entire compound with spectra: 1 MS (GC)

3-Chloro-2-hydroxy-4-(isopropylphenyl)-2-cyclobuten-1-one
SpectraBase Compound ID AXVd7FmLUy
InChI InChI=1S/C13H13ClO2/c1-7(2)8-5-3-4-6-9(8)10-11(14)13(16)12(10)15/h3-7,10,16H,1-2H3
InChIKey PJQIQDAVANEWCE-UHFFFAOYSA-N
Mol Weight 236.7 g/mol
Molecular Formula C13H13ClO2
Exact Mass 236.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdiCR4pfstn
Name 3-Chloro-2-hydroxy-4-(isopropylphenyl)-2-cyclobuten-1-one
Alternate Name(s) 3-Chloro-2-hydroxy-4-(2-isopropylphenyl)-2-cyclobuten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO2
InChI InChI=1S/C13H13ClO2/c1-7(2)8-5-3-4-6-9(8)10-11(14)13(16)12(10)15/h3-7,10,16H,1-2H3
InChIKey PJQIQDAVANEWCE-UHFFFAOYSA-N
Molecular Weight 236.698 g/mol
SMILES OC=1C(C(C1Cl)c1c(C(C)C)cccc1)=O
SPLASH splash10-002f-0900000000-bcf0ead717194652e083
Source of Spectrum J-61-2090-8
Wiley ID 1237948