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3-(4-Chlorophenyl)-4-methoxy-cyclobut-3-ene-1,2-dione

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

3-(4-Chlorophenyl)-4-methoxy-cyclobut-3-ene-1,2-dione
SpectraBase Compound ID H1Mmgb2ZErG
InChI InChI=1S/C11H7ClO3/c1-15-11-8(9(13)10(11)14)6-2-4-7(12)5-3-6/h2-5H,1H3
InChIKey OMPZCXTVAHQGAV-UHFFFAOYSA-N
Mol Weight 222.63 g/mol
Molecular Formula C11H7ClO3
Exact Mass 222.008372 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 21irgYfDvna
Name 3-(4-Chlorophenyl)-4-methoxy-cyclobut-3-ene-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.008371782 u
Formula C11H7ClO3
InChI InChI=1S/C11H7ClO3/c1-15-11-8(9(13)10(11)14)6-2-4-7(12)5-3-6/h2-5H,1H3
InChIKey OMPZCXTVAHQGAV-UHFFFAOYSA-N
Molecular Weight 222.627 g/mol
SMILES C1(=C(OC)C(C1=O)=O)C1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843762