| SpectraBase Compound ID | KVTzvfOOPpx |
|---|---|
| InChI | InChI=1S/C12H22O5/c1-4-5-6-16-11(13)8-15-9-12(14)17-7-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | PZDGYZVTHYUNCK-UHFFFAOYSA-N |
| Mol Weight | 246.3 g/mol |
| Molecular Formula | C12H22O5 |
| Exact Mass | 246.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPw0dOkG2Ci |
|---|---|
| Name | Diglycolic acid, butyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.146723803 u |
| Formula | C12H22O5 |
| InChI | InChI=1S/C12H22O5/c1-4-5-6-16-11(13)8-15-9-12(14)17-7-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | PZDGYZVTHYUNCK-UHFFFAOYSA-N |
| Molecular Weight | 246.303 g/mol |
| SMILES | C(COCC(=O)OCCCC)(=O)OCC(C)C |