| SpectraBase Compound ID | 8WicCj4LbyC |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14) |
| InChIKey | BGPOHJSGSYVQSU-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 | C28Cajea9iy |
|---|---|
| Name | 5-(p-Methoxyphenyl)valeric acid |
| 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/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14) |
| InChIKey | BGPOHJSGSYVQSU-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | OC(CCCCC1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.95931 |