| SpectraBase Compound ID | 1sqmSeRWK5I |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-8-15(17)20-14(11-16(18)19-12(2)3)13-9-6-5-7-10-13/h5-7,9-10,12,14H,4,8,11H2,1-3H3/t14-/m0/s1 |
| InChIKey | FECPYGRDYTZJNX-AWEZNQCLSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KOOQS3g9VHX |
|---|---|
| Name | (3S)-Isopropyl .beta.-butyryloxy-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-4-8-15(17)20-14(11-16(18)19-12(2)3)13-9-6-5-7-10-13/h5-7,9-10,12,14H,4,8,11H2,1-3H3/t14-/m0/s1 |
| InChIKey | FECPYGRDYTZJNX-AWEZNQCLSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(C(=O)OC(C)C)[C@](OC(=O)CCC)(C=1C=CC=CC1)[H] |