| SpectraBase Compound ID | H2RvnQkVsPU |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-3-5-14-18(15-10-7-6-8-11-15)16(19)12-9-13-17(20)21-4-2/h6-8,10-11H,3-5,9,12-14H2,1-2H3 |
| InChIKey | WLMLYKXEKLHMRA-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 | EFQQ8Ii6Oi5 |
|---|---|
| Name | Glutaric acid, monoamide, N-butyl-N-phenyl-, ethyl 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/c1-3-5-14-18(15-10-7-6-8-11-15)16(19)12-9-13-17(20)21-4-2/h6-8,10-11H,3-5,9,12-14H2,1-2H3 |
| InChIKey | WLMLYKXEKLHMRA-UHFFFAOYSA-N |
| SMILES | C1=CC=C(N(C(CCCC(OCC)=O)=O)CCCC)C=C1 |