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

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

3-(4-Chlorophenyl)-4-(4-morpholinyl)cyclobut-3-ene-1,2-dione
SpectraBase Compound ID FQT1Hm2Nyll
InChI InChI=1S/C14H12ClNO3/c15-10-3-1-9(2-4-10)11-12(14(18)13(11)17)16-5-7-19-8-6-16/h1-4H,5-8H2
InChIKey QVWPWXGOSIOTMC-UHFFFAOYSA-N
Mol Weight 277.71 g/mol
Molecular Formula C14H12ClNO3
Exact Mass 277.050571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3X06VLajzZ4
Name 3-(4-Chlorophenyl)-4-(4-morpholinyl)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 277.050570947 u
Formula C14H12ClNO3
InChI InChI=1S/C14H12ClNO3/c15-10-3-1-9(2-4-10)11-12(14(18)13(11)17)16-5-7-19-8-6-16/h1-4H,5-8H2
InChIKey QVWPWXGOSIOTMC-UHFFFAOYSA-N
SMILES C1(C(C(=C1C=1C=CC(=CC1)Cl)N1CCOCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832798