| SpectraBase Compound ID | By2cGIYHd6e |
|---|---|
| InChI | InChI=1S/C14H21NO2/c1-12(14(16)17-3)9-10-15(2)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3 |
| InChIKey | VOOBENIFHYVKDP-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 | Ev3f2YRBBiG |
|---|---|
| Name | Methyl 2-methyl-4-(N-methylbenzylamino)butanoate |
| 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/c1-12(14(16)17-3)9-10-15(2)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3 |
| InChIKey | VOOBENIFHYVKDP-UHFFFAOYSA-N |
| Molecular Weight | 235.327 g/mol |
| SMILES | C(=O)(C(CCN(CC1=CC=CC=C1)C)C)OC |