| SpectraBase Compound ID | Fl1a2bmZemS |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-10(15)14-12-8-6-11(7-9-12)4-3-5-13(16)17-2/h6-9H,3-5H2,1-2H3,(H,14,15) |
| InChIKey | YYAOJSVXBIXYOL-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 | BvVraIGi8ps |
|---|---|
| Name | Methyl 4-(4-acetamidophenyl)butanoate |
| 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/c1-10(15)14-12-8-6-11(7-9-12)4-3-5-13(16)17-2/h6-9H,3-5H2,1-2H3,(H,14,15) |
| InChIKey | YYAOJSVXBIXYOL-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C1(=CC=C(C=C1)CCCC(OC)=O)NC(C)=O |