| SpectraBase Spectrum ID |
4saCVagBFx5 |
| Name |
2-(4-Propylphenoxy)propanoic 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/c1-3-4-10-5-7-11(8-6-10)15-9(2)12(13)14/h5-9H,3-4H2,1-2H3,(H,13,14) |
| InChIKey |
BCGAQLXZWYPDCJ-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C(OC1=CC=C(C=C1)CCC)(C)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865623 |
