| SpectraBase Compound ID | l7bgzLdJYc |
|---|---|
| InChI | InChI=1S/C13H18O5/c1-2-3-4-5-6-9-10(7-8-11(14)15)13(17)18-12(9)16/h2-8H2,1H3,(H,14,15) |
| InChIKey | VTHDBKWCMXGCAR-UHFFFAOYSA-N |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C13H18O5 |
| Exact Mass | 254.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gu2uHqyfU6q |
|---|---|
| Name | 2-(.beta.-Carboxyethyl)-3-hexylmaleic anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.115423675 u |
| Formula | C13H18O5 |
| InChI | InChI=1S/C13H18O5/c1-2-3-4-5-6-9-10(7-8-11(14)15)13(17)18-12(9)16/h2-8H2,1H3,(H,14,15) |
| InChIKey | VTHDBKWCMXGCAR-UHFFFAOYSA-N |
| Molecular Weight | 254.282 g/mol |
| SMILES | C1(OC(C(=C1CCC(=O)O)CCCCCC)=O)=O |