| SpectraBase Compound ID | CHLbFuXN041 |
|---|---|
| InChI | InChI=1S/C14H14O8/c1-19-11(15)7-21-13(17)9-4-3-5-10(6-9)14(18)22-8-12(16)20-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | YDMJGOBYDPGBRE-UHFFFAOYSA-N |
| Mol Weight | 310.26 g/mol |
| Molecular Formula | C14H14O8 |
| Exact Mass | 310.068867 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZMpQ8UHyVY |
|---|---|
| Name | Isophthalic acid, bis(methoxycarbonylmethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.068867403 u |
| Formula | C14H14O8 |
| InChI | InChI=1S/C14H14O8/c1-19-11(15)7-21-13(17)9-4-3-5-10(6-9)14(18)22-8-12(16)20-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | YDMJGOBYDPGBRE-UHFFFAOYSA-N |
| Molecular Weight | 310.258 g/mol |
| SMILES | C(OC)(COC(C1=CC(C(OCC(OC)=O)=O)=CC=C1)=O)=O |