| SpectraBase Compound ID | 7IBo25gP0IG |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-3-5-6-7-11-17-13(15)9-8-12(14)16-10-4-2/h5-6H,3-4,7-11H2,1-2H3/b6-5+ |
| InChIKey | LDLIWNHOZGTWJR-AATRIKPKSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EE6jKdE00Kq |
|---|---|
| Name | Succinic acid, propyl trans-hex-3-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/c1-3-5-6-7-11-17-13(15)9-8-12(14)16-10-4-2/h5-6H,3-4,7-11H2,1-2H3/b6-5+ |
| InChIKey | LDLIWNHOZGTWJR-AATRIKPKSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(OCC\C=C\CC)(CCC(OCCC)=O)=O |