| SpectraBase Compound ID | HdJyzPJiVKx |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-15-11(13)8-10(12(14)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+ |
| InChIKey | UCAORXMJCYVKCA-CSKARUKUSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2NCsiGoPMak |
|---|---|
| Name | Dimethyl 2-phenylfumarate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-15-11(13)8-10(12(14)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+ |
| InChIKey | UCAORXMJCYVKCA-CSKARUKUSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1(\C(=C/C(OC)=O)C(=O)OC)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975816 |