![2-Amino-3-[4'-(decyloxy)phenyl]propanoic acid](/api/spectrum/43F83pDc375/structure.png?h=300&w=458 "2-Amino-3-[4'-(decyloxy)phenyl]propanoic acid")
| SpectraBase Compound ID | 5FNZeZq5Sp3 |
|---|---|
| InChI | InChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-14-23-17-12-10-16(11-13-17)15-18(20)19(21)22/h10-13,18H,2-9,14-15,20H2,1H3,(H,21,22) |
| InChIKey | CFRBTNLVEOWVHX-UHFFFAOYSA-N |
| Mol Weight | 321.46 g/mol |
| Molecular Formula | C19H31NO3 |
| Exact Mass | 321.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43F83pDc375 |
|---|---|
| Name | 2-Amino-3-[4'-(decyloxy)phenyl]propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.230393859 u |
| Formula | C19H31NO3 |
| InChI | InChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-14-23-17-12-10-16(11-13-17)15-18(20)19(21)22/h10-13,18H,2-9,14-15,20H2,1H3,(H,21,22) |
| InChIKey | CFRBTNLVEOWVHX-UHFFFAOYSA-N |
| Molecular Weight | 321.461 g/mol |
| SMILES | C(C(CC1=CC=C(C=C1)OCCCCCCCCCC)N)(=O)O |