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2-Furanone, 3-[(dimethylamino)methylidene]-5-[[5-oxo-2(5H)-furanyliden]methyl]-
SpectraBase Compound ID 5afUkYY4NKK
InChI InChI=1S/C12H11NO4/c1-13(2)7-8-5-10(17-12(8)15)6-9-3-4-11(14)16-9/h3-7H,1-2H3/b8-7-,9-6+
InChIKey YURBPCHZFZUXLF-SOKJVCRVSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ChZveftPlIr
Name 2-Furanone, 3-[(dimethylamino)methylidene]-5-[[5-oxo-2(5H)-furanyliden]methyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.068807834 u
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-13(2)7-8-5-10(17-12(8)15)6-9-3-4-11(14)16-9/h3-7H,1-2H3/b8-7-,9-6+
InChIKey YURBPCHZFZUXLF-SOKJVCRVSA-N
Molecular Weight 233.223 g/mol
SMILES C1(\C(C=C(O1)\C=C/1OC(=O)C=C1)=C/N(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97897