| SpectraBase Compound ID | 4LprGyzXgDN |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-3-16-12(14)8-9-13(15)17-10(2)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | UULAAQQVWUWUGX-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOLzXf63ItG |
|---|---|
| Name | Succinic acid, 1-cyclopentylethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-3-16-12(14)8-9-13(15)17-10(2)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | UULAAQQVWUWUGX-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(C(OC(C)C1CCCC1)=O)CC(OCC)=O |