![(R)-(+)-2-[2-(4-bromophenyl)ethyl]-1,3-propanediol monoacetate](/api/spectrum/9nqfxRKudfJ/structure.png?h=300&w=458 "(R)-(+)-2-[2-(4-bromophenyl)ethyl]-1,3-propanediol monoacetate")
| SpectraBase Compound ID | 1MkVyWKWiF3 |
|---|---|
| InChI | InChI=1S/C13H17BrO3/c1-10(16)17-9-12(8-15)3-2-11-4-6-13(14)7-5-11/h4-7,12,15H,2-3,8-9H2,1H3/t12-/m1/s1 |
| InChIKey | NSNFYIMQCMXZTN-GFCCVEGCSA-N |
| Mol Weight | 301.18 g/mol |
| Molecular Formula | C13H17BrO3 |
| Exact Mass | 300.036107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nqfxRKudfJ |
|---|---|
| Name | (R)-(+)-2-[2-(4-bromophenyl)ethyl]-1,3-propanediol monoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.036107404 u |
| Formula | C13H17BrO3 |
| InChI | InChI=1S/C13H17BrO3/c1-10(16)17-9-12(8-15)3-2-11-4-6-13(14)7-5-11/h4-7,12,15H,2-3,8-9H2,1H3/t12-/m1/s1 |
| InChIKey | NSNFYIMQCMXZTN-GFCCVEGCSA-N |
| SMILES | C(=O)(OC[C@](CCC1=CC=C(C=C1)Br)(CO)[H])C |