| SpectraBase Compound ID | DXbpsWlJ9Ae |
|---|---|
| InChI | InChI=1S/C12H22O5/c1-10(2)9-17-12(14)6-4-5-11(13)16-8-7-15-3/h10H,4-9H2,1-3H3 |
| InChIKey | KKBMLEFBEGVMOS-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 | 5Ye9wZpnTms |
|---|---|
| Name | Glutaric acid, isobutyl 2-methoxyethyl 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/c1-10(2)9-17-12(14)6-4-5-11(13)16-8-7-15-3/h10H,4-9H2,1-3H3 |
| InChIKey | KKBMLEFBEGVMOS-UHFFFAOYSA-N |
| Molecular Weight | 246.303 g/mol |
| SMILES | CC(C)COC(CCCC(OCCOC)=O)=O |