| SpectraBase Compound ID | YDX0ynyXIa |
|---|---|
| InChI | InChI=1S/C7H12O4/c1-5(7(10)11-2)3-4-6(8)9/h5H,3-4H2,1-2H3,(H,8,9) |
| InChIKey | GPERFEGHZZLCRG-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pPaNp4nnN9 |
|---|---|
| Name | Pentanedioic acid, 2-methyl-, monomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.073558862 u |
| Formula | C7H12O4 |
| InChI | InChI=1S/C7H12O4/c1-5(7(10)11-2)3-4-6(8)9/h5H,3-4H2,1-2H3,(H,8,9) |
| InChIKey | GPERFEGHZZLCRG-UHFFFAOYSA-N |
| Molecular Weight | 160.169 g/mol |
| SMILES | C(=O)(CCC(C(=O)OC)C)O |