| SpectraBase Compound ID | BI76yEEPjE7 |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-4-5-6-14-7-9-15(10-8-14)17(20)18-11-16(19)21-12-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,20) |
| InChIKey | UCIIAKBJXPDSNN-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C17H25NO3 |
| Exact Mass | 291.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFi1CIK4Lgo |
|---|---|
| Name | Glycine, N-(4-butylbenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.183443666 u |
| Formula | C17H25NO3 |
| InChI | InChI=1S/C17H25NO3/c1-4-5-6-14-7-9-15(10-8-14)17(20)18-11-16(19)21-12-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,20) |
| InChIKey | UCIIAKBJXPDSNN-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(NCC(OCC(C)C)=O)=O)CCCC |