| SpectraBase Compound ID | ClPm8xh58oi |
|---|---|
| InChI | InChI=1S/C8H14O4/c1-6(2)8(11)12-4-3-7(10)5-9/h7,9-10H,1,3-5H2,2H3 |
| InChIKey | JTFIUWWKGBGREU-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C8H14O4 |
| Exact Mass | 174.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5ZXMP03Boi |
|---|---|
| Name | 2-Propenoic acid, 2-methyl-, 3,4-dihydroxybutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.089208927 u |
| Formula | C8H14O4 |
| InChI | InChI=1S/C8H14O4/c1-6(2)8(11)12-4-3-7(10)5-9/h7,9-10H,1,3-5H2,2H3 |
| InChIKey | JTFIUWWKGBGREU-UHFFFAOYSA-N |
| Molecular Weight | 174.196 g/mol |
| SMILES | CC(=C)C(=O)OCCC(O)CO |