![Propanoic acid, 2-[(1-phenylethyl)carbamoyl]-, methyl ester](/api/spectrum/DvOUbbbqy0n/structure.png?h=300&w=458 "Propanoic acid, 2-[(1-phenylethyl)carbamoyl]-, methyl ester")
| SpectraBase Compound ID | 85OKYrX6WpC |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-9(13(16)17-3)12(15)14-10(2)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15) |
| InChIKey | DSHIXNFEUOCKGW-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvOUbbbqy0n |
|---|---|
| Name | Propanoic acid, 2-[(1-phenylethyl)carbamoyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-9(13(16)17-3)12(15)14-10(2)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15) |
| InChIKey | DSHIXNFEUOCKGW-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C1(=CC=CC=C1)C(NC(C(C)C(OC)=O)=O)C |