| SpectraBase Compound ID | 5LtXD57X9CV |
|---|---|
| InChI | InChI=1S/C14H21NO2/c1-11(2)17-14(16)13(15(3)4)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3 |
| InChIKey | TULUMOLCIDGEBS-UHFFFAOYSA-N |
| Mol Weight | 235.33 g/mol |
| Molecular Formula | C14H21NO2 |
| Exact Mass | 235.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UC2C6n119n |
|---|---|
| Name | Isopropyl dl-N,N-dimethylphenylalanine ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.157228918 u |
| Formula | C14H21NO2 |
| InChI | InChI=1S/C14H21NO2/c1-11(2)17-14(16)13(15(3)4)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3 |
| InChIKey | TULUMOLCIDGEBS-UHFFFAOYSA-N |
| Molecular Weight | 235.327 g/mol |
| SMILES | C(C(N(C)C)CC1=CC=CC=C1)(OC(C)C)=O |