| SpectraBase Spectrum ID |
K372B6J7O1U |
| Name |
Methyl 3-oxo-2-[3-oxo-3H-isobenzofuran-1-ylidene]-5-phenylpentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.099773610 u |
| Formula |
C20H16O5 |
| InChI |
InChI=1S/C20H16O5/c1-24-20(23)17(16(21)12-11-13-7-3-2-4-8-13)18-14-9-5-6-10-15(14)19(22)25-18/h2-10H,11-12H2,1H3/b18-17- |
| InChIKey |
SBELPPROGVQOQQ-ZCXUNETKSA-N |
| Molecular Weight |
336.343 g/mol |
| SMILES |
C(\C(=C/1OC(=O)C2=C1C=CC=C2)C(=O)CCC=1C=CC=CC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845366 |
![Methyl 3-oxo-2-[3-oxo-3H-isobenzofuran-1-ylidene]-5-phenylpentanoate](/api/spectrum/K372B6J7O1U/structure.png?h=300&w=458 "Methyl 3-oxo-2-[3-oxo-3H-isobenzofuran-1-ylidene]-5-phenylpentanoate")
