| SpectraBase Compound ID | 2JvAnzOq14U |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-5-6-9-16-12(14)7-8-13(15)17-11(4)10(2)3/h5,10-11H,1,6-9H2,2-4H3 |
| InChIKey | QJUBXZHVTFKCOP-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 | JdXIfTdwksD |
|---|---|
| Name | Succinic acid, 3-methylbut-2-yl but-3-en-1-yl 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/c1-5-6-9-16-12(14)7-8-13(15)17-11(4)10(2)3/h5,10-11H,1,6-9H2,2-4H3 |
| InChIKey | QJUBXZHVTFKCOP-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(CC(OC(C(C)C)C)=O)C(OCCC=C)=O |