![Isopropyl 2-[1'-(phenylmethylidene)amini]acetate](/api/spectrum/DgMwKH6zcrw/structure.png?h=300&w=458 "Isopropyl 2-[1'-(phenylmethylidene)amini]acetate")
| SpectraBase Compound ID | 1KJyb3qA0gg |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-10(2)15-12(14)9-13-8-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3/b13-8+ |
| InChIKey | MENYOEKDCKHANA-MDWZMJQESA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgMwKH6zcrw |
|---|---|
| Name | Isopropyl 2-[1'-(phenylmethylidene)amini]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c1-10(2)15-12(14)9-13-8-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3/b13-8+ |
| InChIKey | MENYOEKDCKHANA-MDWZMJQESA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C1(\C=N\CC(=O)OC(C)C)=CC=CC=C1 |