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2-Benzoyl-but-2-enedioic acid diethyl ester
SpectraBase Compound ID 2pYMeExFioI
InChI InChI=1S/C15H16O5/c1-3-19-13(16)10-12(15(18)20-4-2)14(17)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+
InChIKey IUHBXWZTJTWXLV-ZRDIBKRKSA-N
Mol Weight 276.29 g/mol
Molecular Formula C15H16O5
Exact Mass 276.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1TdJsbVYfwv
Name 2-Benzoyl-but-2-enedioic acid diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.099773610 u
Formula C15H16O5
InChI InChI=1S/C15H16O5/c1-3-19-13(16)10-12(15(18)20-4-2)14(17)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+
InChIKey IUHBXWZTJTWXLV-ZRDIBKRKSA-N
Molecular Weight 276.288 g/mol
SMILES C(\C(=C/C(=O)OCC)C(=O)OCC)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984736