| SpectraBase Compound ID | 5cTSRtpOOMZ |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-2-3-4-5-6(7(9)10)8(11)12/h1,6H,3-5H2,(H,9,10)(H,11,12) |
| InChIKey | GLBLQXOHMULXPC-UHFFFAOYSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyMbvbd6k76 |
|---|---|
| Name | 2-(4-Pentynyl)malonic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.057908798 u |
| Formula | C8H10O4 |
| InChI | InChI=1S/C8H10O4/c1-2-3-4-5-6(7(9)10)8(11)12/h1,6H,3-5H2,(H,9,10)(H,11,12) |
| InChIKey | GLBLQXOHMULXPC-UHFFFAOYSA-N |
| SMILES | C(C(=O)O)(C(=O)O)CCCC#C |