| SpectraBase Compound ID | PmgBzWxyzp |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-16-11(14)10(12(15)17-2)13-8-9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3 |
| InChIKey | GFXWJXOHURLRQZ-UHFFFAOYSA-N |
| Mol Weight | 237.25 g/mol |
| Molecular Formula | C12H15NO4 |
| Exact Mass | 237.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hc1N4JSXiYY |
|---|---|
| Name | Propanedioic iacid, 2-(N-benzylamino)-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.100107963 u |
| Formula | C12H15NO4 |
| InChI | InChI=1S/C12H15NO4/c1-16-11(14)10(12(15)17-2)13-8-9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3 |
| InChIKey | GFXWJXOHURLRQZ-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C1=C(C=CC=C1)CNC(C(=O)OC)C(OC)=O |