| SpectraBase Compound ID | 5S2sT9kHi8x |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-13-11(12)8-5-9-14-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3 |
| InChIKey | SSRVFHVMEFTYQS-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 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 | 8CDGpeQk6k5 |
|---|---|
| Name | Butanoic acid, 4-phenoxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-13-11(12)8-5-9-14-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3 |
| InChIKey | SSRVFHVMEFTYQS-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C(OC1=CC=CC=C1)CCC(OC)=O |