| SpectraBase Compound ID | 2HXP7KZZRFu |
|---|---|
| InChI | InChI=1S/C10H18O5/c11-7-3-4-8-15-10(14)6-2-1-5-9(12)13/h11H,1-8H2,(H,12,13) |
| InChIKey | ZSYUYBMMNNGZIB-UHFFFAOYSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C10H18O5 |
| Exact Mass | 218.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZvfngdQOza |
|---|---|
| Name | Butanediol adipate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.115423675 u |
| Formula | C10H18O5 |
| InChI | InChI=1S/C10H18O5/c11-7-3-4-8-15-10(14)6-2-1-5-9(12)13/h11H,1-8H2,(H,12,13) |
| InChIKey | ZSYUYBMMNNGZIB-UHFFFAOYSA-N |
| Molecular Weight | 218.249 g/mol |
| SMILES | C(CCCOC(CCCCC(O)=O)=O)O |