| SpectraBase Compound ID | wonAvFMjHN |
|---|---|
| InChI | InChI=1S/C17H14O4/c1-20-16(18)12-15(13-8-4-2-5-9-13)17(19)21-14-10-6-3-7-11-14/h2-12H,1H3/b15-12+ |
| InChIKey | QUXDPBLSRVOQDI-NTCAYCPXSA-N |
| Mol Weight | 282.3 g/mol |
| Molecular Formula | C17H14O4 |
| Exact Mass | 282.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LTM7lo1P5Fz |
|---|---|
| Name | 4-Methyl 1-phenyl 2-phenylfumarate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.089208927 u |
| Formula | C17H14O4 |
| InChI | InChI=1S/C17H14O4/c1-20-16(18)12-15(13-8-4-2-5-9-13)17(19)21-14-10-6-3-7-11-14/h2-12H,1H3/b15-12+ |
| InChIKey | QUXDPBLSRVOQDI-NTCAYCPXSA-N |
| SMILES | C(\C=C/(C=1C=CC=CC1)C(OC1=CC=CC=C1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977835 |