| SpectraBase Compound ID | LAk7vgllUKK |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-10(14)15-9-12(8-13)7-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3 |
| InChIKey | CBYFARAUSMBSDY-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76bgZtRpMOf |
|---|---|
| Name | 2-Benzyl-1,3-propanediol monoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-10(14)15-9-12(8-13)7-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3 |
| InChIKey | CBYFARAUSMBSDY-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(=O)(OCC(CC=1C=CC=CC1)CO)C |