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4-(4-Chlorophenyl)-3-dimethylamino-3-cyclobuten-1,2-dione

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

4-(4-Chlorophenyl)-3-dimethylamino-3-cyclobuten-1,2-dione
SpectraBase Compound ID HXSnRYZYexH
InChI InChI=1S/C12H10ClNO2/c1-14(2)10-9(11(15)12(10)16)7-3-5-8(13)6-4-7/h3-6H,1-2H3
InChIKey RPVVVRWEWGMAHH-UHFFFAOYSA-N
Mol Weight 235.67 g/mol
Molecular Formula C12H10ClNO2
Exact Mass 235.040006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A8EIgVUBWMe
Name 4-(4-Chlorophenyl)-3-dimethylamino-3-cyclobuten-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.040006264 u
Formula C12H10ClNO2
InChI InChI=1S/C12H10ClNO2/c1-14(2)10-9(11(15)12(10)16)7-3-5-8(13)6-4-7/h3-6H,1-2H3
InChIKey RPVVVRWEWGMAHH-UHFFFAOYSA-N
Molecular Weight 235.670 g/mol
SMILES C1(C(C(=C1C=1C=CC(=CC1)Cl)N(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899864