acetic acid, 3me derivative](/api/spectrum/ACEu6EG8cD9/structure.png?h=300&w=458 "[(Aminocarbonyl)amino](phenyl)acetic acid, 3me derivative")
| SpectraBase Compound ID | Ess2hZyRjqj |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-14(2)12(16)13-10(11(15)17-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,13,16) |
| InChIKey | PXVSJWRUKDVKQX-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACEu6EG8cD9 |
|---|---|
| Name | [(Aminocarbonyl)amino](phenyl)acetic acid, 3me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-14(2)12(16)13-10(11(15)17-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,13,16) |
| InChIKey | PXVSJWRUKDVKQX-UHFFFAOYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | C(NC(=O)N(C)C)(C1=CC=CC=C1)C(=O)OC |