| SpectraBase Compound ID | 29kIlpjdB1Y |
|---|---|
| InChI | InChI=1S/C10H8O3/c1-2-6-3-4-7-8(5-6)10(12)13-9(7)11/h3-5H,2H2,1H3 |
| InChIKey | ZFKYZHOZHFVTLZ-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C10H8O3 |
| Exact Mass | 176.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H1K76oibH0t |
|---|---|
| Name | 4-Ethylphthalic anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.047344115 u |
| Formula | C10H8O3 |
| InChI | InChI=1S/C10H8O3/c1-2-6-3-4-7-8(5-6)10(12)13-9(7)11/h3-5H,2H2,1H3 |
| InChIKey | ZFKYZHOZHFVTLZ-UHFFFAOYSA-N |
| Molecular Weight | 176.171 g/mol |
| SMILES | C1(C=2C(C(=O)O1)=CC(=CC2)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966875 |