| SpectraBase Compound ID | AC9Mk14i9vr |
|---|---|
| InChI | InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-11-12(9-10-13(16)17)15(19)20-14(11)18/h2-10H2,1H3,(H,16,17) |
| InChIKey | RQZGKGURVNBHPS-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C15H22O5 |
| Exact Mass | 282.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B6BRVw1kHJf |
|---|---|
| Name | 2-(.beta.-Carboxyethyl)-3-octylmaleic anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.146723803 u |
| Formula | C15H22O5 |
| InChI | InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-11-12(9-10-13(16)17)15(19)20-14(11)18/h2-10H2,1H3,(H,16,17) |
| InChIKey | RQZGKGURVNBHPS-UHFFFAOYSA-N |
| SMILES | C1(OC(C(=C1CCC(=O)O)CCCCCCCC)=O)=O |