| SpectraBase Compound ID | BkUGzJFB793 |
|---|---|
| InChI | InChI=1S/C14H14O6/c1-9(15)19-7-13(17)11-3-5-12(6-4-11)14(18)8-20-10(2)16/h3-6H,7-8H2,1-2H3 |
| InChIKey | XOHVDALKYKYNPH-UHFFFAOYSA-N |
| Mol Weight | 278.26 g/mol |
| Molecular Formula | C14H14O6 |
| Exact Mass | 278.079038 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6XfyrqKYVIm |
|---|---|
| Name | 1,4-bis(Acetoxyacetyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.079038165 u |
| Formula | C14H14O6 |
| InChI | InChI=1S/C14H14O6/c1-9(15)19-7-13(17)11-3-5-12(6-4-11)14(18)8-20-10(2)16/h3-6H,7-8H2,1-2H3 |
| InChIKey | XOHVDALKYKYNPH-UHFFFAOYSA-N |
| SMILES | C=1(C=CC(=CC1)C(=O)COC(=O)C)C(=O)COC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961142 |