| SpectraBase Compound ID | IjmF7G8itre |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-13(15-11(2)14)10-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3/t13-/m1/s1 |
| InChIKey | YEOFHDDQOPVCRC-CYBMUJFWSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUe6E8DdfCf |
|---|---|
| Name | (3R)-1-Phenyl-3-(acetyloxy)pentane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-3-13(15-11(2)14)10-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3/t13-/m1/s1 |
| InChIKey | YEOFHDDQOPVCRC-CYBMUJFWSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(=O)(O[C@@](CCC=1C=CC=CC1)(CC)[H])C |