| SpectraBase Compound ID | I3MLj8Mpjbk |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-13(2)6-5-11-21-17(20)10-9-16(19)18-15-8-4-7-14(3)12-15/h4,7-10,12-13H,5-6,11H2,1-3H3,(H,18,19)/b10-9+ |
| InChIKey | VZRBOBOUKKESGR-MDZDMXLPSA-N |
| Mol Weight | 289.38 g/mol |
| Molecular Formula | C17H23NO3 |
| Exact Mass | 289.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MVo9Dw6SHw |
|---|---|
| Name | Fumaric acid, monoamide, N-(3-methylphenyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.167793602 u |
| Formula | C17H23NO3 |
| InChI | InChI=1S/C17H23NO3/c1-13(2)6-5-11-21-17(20)10-9-16(19)18-15-8-4-7-14(3)12-15/h4,7-10,12-13H,5-6,11H2,1-3H3,(H,18,19)/b10-9+ |
| InChIKey | VZRBOBOUKKESGR-MDZDMXLPSA-N |
| SMILES | CC(C)CCCOC(\C=C\C(NC1=CC=CC(=C1)C)=O)=O |