| SpectraBase Compound ID | 9J1bapzczJa |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-11(15)16-14(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3/t14-/m1/s1 |
| InChIKey | NBGFTBOTVUSVMW-CQSZACIVSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lf2TkNVBxJy |
|---|---|
| Name | (S)-Cyclopentyl(phenyl)methyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-11(15)16-14(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3/t14-/m1/s1 |
| InChIKey | NBGFTBOTVUSVMW-CQSZACIVSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(C)(=O)O[C@@](C1CCCC1)(C1=CC=CC=C1)[H] |