| SpectraBase Compound ID | Dopru8Upi6s |
|---|---|
| InChI | InChI=1S/C10H14O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h1,8H,3-7H2,(H,11,12)(H,13,14) |
| InChIKey | QNTYJXVBBNVWQY-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C10H14O4 |
| Exact Mass | 198.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIXeeMqFR1j |
|---|---|
| Name | Malonic acid, 6-heptynyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.089208927 u |
| Formula | C10H14O4 |
| InChI | InChI=1S/C10H14O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h1,8H,3-7H2,(H,11,12)(H,13,14) |
| InChIKey | QNTYJXVBBNVWQY-UHFFFAOYSA-N |
| Molecular Weight | 198.218 g/mol |
| SMILES | C(C(=O)O)(C(=O)O)CCCCCC#C |