| SpectraBase Compound ID | 3YbL5kZz03B |
|---|---|
| InChI | InChI=1S/C14H18O5/c1-10-6-4-5-7-14(10)18-9-13(19-12(3)16)8-17-11(2)15/h4-7,13H,8-9H2,1-3H3/t13-/m1/s1 |
| InChIKey | CVMSKRHCTWCITE-CYBMUJFWSA-N |
| Mol Weight | 266.29 g/mol |
| Molecular Formula | C14H18O5 |
| Exact Mass | 266.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6SFAv66f2p |
|---|---|
| Name | (S)-3-(2-Methylphenoxy)propane-1,2-diol 1,2-diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.115423675 u |
| Formula | C14H18O5 |
| InChI | InChI=1S/C14H18O5/c1-10-6-4-5-7-14(10)18-9-13(19-12(3)16)8-17-11(2)15/h4-7,13H,8-9H2,1-3H3/t13-/m1/s1 |
| InChIKey | CVMSKRHCTWCITE-CYBMUJFWSA-N |
| Molecular Weight | 266.293 g/mol |
| SMILES | C(O[C@@](COC=1C(C)=CC=CC1)(COC(=O)C)[H])(=O)C |