| SpectraBase Compound ID | 8wo502EpaCy |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-5-18(15-10-6-9-14(4)12-15)16(19)17(20)21-11-7-8-13(2)3/h6,9-10,12-13H,5,7-8,11H2,1-4H3 |
| InChIKey | PGMSEMVLPGZNAU-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 | 2L8ihYBwsuZ |
|---|---|
| Name | Oxalic acid, monoamide, N-ethyl-N-(3-methylphenyl)-, isohexyl 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/c1-5-18(15-10-6-9-14(4)12-15)16(19)17(20)21-11-7-8-13(2)3/h6,9-10,12-13H,5,7-8,11H2,1-4H3 |
| InChIKey | PGMSEMVLPGZNAU-UHFFFAOYSA-N |
| Molecular Weight | 291.391 g/mol |
| SMILES | CC(C)CCCOC(C(=O)N(CC)C1=CC(=CC=C1)C)=O |