![Propanoic acid, 3-[4-(1,1-dimethylethyl)phenoxy]-; propionic acid, 3-(p-tert-butylphenoxy)-](/api/spectrum/LINxSEW3OoG/structure.png?h=300&w=458 "Propanoic acid, 3-[4-(1,1-dimethylethyl)phenoxy]-; propionic acid, 3-(p-tert-butylphenoxy)-")
| SpectraBase Compound ID | KZMpXtpn4wW |
|---|---|
| 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 |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LINxSEW3OoG |
|---|---|
| Name | Propanoic acid, 3-[4-(1,1-dimethylethyl)phenoxy]-; propionic acid, 3-(p-tert-butylphenoxy)- |
| Comments | Computed using HOSE algorithm |
| 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 |