| SpectraBase Spectrum ID |
25ftwUcY0WU |
| Name |
Propanoic acid, 3-[4-(1,1-dimethylethyl)phenoxy]-; propionic acid, 3-(p-tert-butylphenoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-13(2,3)10-4-6-11(7-5-10)16-9-8-12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15) |
| InChIKey |
MFWXGILWCBBIOC-UHFFFAOYSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
OC(CCOC1=CC=C(C=C1)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.977767 |
![Propanoic acid, 3-[4-(1,1-dimethylethyl)phenoxy]-; propionic acid, 3-(p-tert-butylphenoxy)-](/api/spectrum/25ftwUcY0WU/structure.png?h=300&w=458 "Propanoic acid, 3-[4-(1,1-dimethylethyl)phenoxy]-; propionic acid, 3-(p-tert-butylphenoxy)-")
