| SpectraBase Compound ID | Ag1smQT1VMy |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-4-5-6-9-16-12(14)7-8-13(15)17-10-11(2)3/h4,11H,1,5-10H2,2-3H3 |
| InChIKey | FMNNPNJHLZSGMJ-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 | Ko6qvhLhbRa |
|---|---|
| Name | Succinic acid, isobutyl pent-4-enyl 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/c1-4-5-6-9-16-12(14)7-8-13(15)17-10-11(2)3/h4,11H,1,5-10H2,2-3H3 |
| InChIKey | FMNNPNJHLZSGMJ-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C=CCCCOC(CCC(OCC(C)C)=O)=O |