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 |