| SpectraBase Compound ID | IsjRfDsmgYv |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)14-12(13)10(3)15-11-7-5-4-6-8-11/h4-10H,1-3H3 |
| InChIKey | PHFLAYUNRMBPDC-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5gLaLdGPDOe |
|---|---|
| Name | Propanoic acid, 2-phenoxy-, 1-methylethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-9(2)14-12(13)10(3)15-11-7-5-4-6-8-11/h4-10H,1-3H3 |
| InChIKey | PHFLAYUNRMBPDC-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=C(C=CC=C1)OC(C(OC(C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.860141 |