| SpectraBase Compound ID | 2D5cHgyBT1F |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-2-11-7(9)8(10)12-6-4-3-5-6/h6H,2-5H2,1H3 |
| InChIKey | AIIRURWLIXGZNB-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6alUJ47GqZ7 |
|---|---|
| Name | Oxalic acid, cyclobutyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-2-11-7(9)8(10)12-6-4-3-5-6/h6H,2-5H2,1H3 |
| InChIKey | AIIRURWLIXGZNB-UHFFFAOYSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | CCOC(C(OC1CCC1)=O)=O |