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2-[(3-Chlorobenzoyl)oxy]cyclohexanone
SpectraBase Compound ID 9ag8gstQoY9
InChI InChI=1S/C13H13ClO3/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h3-5,8,12H,1-2,6-7H2
InChIKey CBSRANROZFWOFD-UHFFFAOYSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WfRAZhkdvu
Name 2-[(3-Chlorobenzoyl)oxy]cyclohexanone
CAS Registry Number 61543-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h3-5,8,12H,1-2,6-7H2
InChIKey CBSRANROZFWOFD-UHFFFAOYSA-N
Molecular Weight 252.697 g/mol
SMILES C(OC1C(=O)CCCC1)(c1cc(Cl)ccc1)=O
SPLASH splash10-0w2i-0940000000-20dbe60a36a5f58b349a
Source of Spectrum J-46-2720-0
Synonyms 2-Oxocyclohexyl 3-chlorobenzoate 3-Chlorobenzoic acid (2-oxocyclohexyl) ester (2-oxocyclohexyl) 3-chlorobenzoate (2-oxidanylidenecyclohexyl) 3-chloranylbenzoate
Wiley ID 1255281