| SpectraBase Compound ID | EmhUlkIGg5N |
|---|---|
| InChI | InChI=1S/C12H10O6/c1-7(13)17-11(15)9-3-5-10(6-4-9)12(16)18-8(2)14/h3-6H,1-2H3 |
| InChIKey | PQLRICLKWPLTNQ-UHFFFAOYSA-N |
| Mol Weight | 250.21 g/mol |
| Molecular Formula | C12H10O6 |
| Exact Mass | 250.047738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EuVIHWEAtsH |
|---|---|
| Name | Benzene-1,4-diacetic acid, di-acetic anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.047738036 u |
| Formula | C12H10O6 |
| InChI | InChI=1S/C12H10O6/c1-7(13)17-11(15)9-3-5-10(6-4-9)12(16)18-8(2)14/h3-6H,1-2H3 |
| InChIKey | PQLRICLKWPLTNQ-UHFFFAOYSA-N |
| Molecular Weight | 250.206 g/mol |
| SMILES | CC(=O)OC(=O)C1=CC=C(C=C1)C(=O)OC(C)=O |