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2',6'-Bis(4-chlorobenzoyloxy)acetophenone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2',6'-Bis(4-chlorobenzoyloxy)acetophenone
SpectraBase Compound ID JSVWQRxpNET
InChI InChI=1S/C22H14Cl2O5/c1-13(25)20-18(28-21(26)14-5-9-16(23)10-6-14)3-2-4-19(20)29-22(27)15-7-11-17(24)12-8-15/h2-12H,1H3
InChIKey YHGRSCMGBBPZKM-UHFFFAOYSA-N
Mol Weight 429.26 g/mol
Molecular Formula C22H14Cl2O5
Exact Mass 428.021829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KspUMgYA7EC
Name 2',6'-bis(4-Chlorobenzoyloxy)acetophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.021828946 u
Formula C22H14Cl2O5
InChI InChI=1S/C22H14Cl2O5/c1-13(25)20-18(28-21(26)14-5-9-16(23)10-6-14)3-2-4-19(20)29-22(27)15-7-11-17(24)12-8-15/h2-12H,1H3
InChIKey YHGRSCMGBBPZKM-UHFFFAOYSA-N
Molecular Weight 429.255 g/mol
SMILES C(C)(=O)C=1C(=CC=CC1OC(C=1C=CC(=CC1)Cl)=O)OC(C=1C=CC(=CC1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888574