| SpectraBase Compound ID | Gatn0lWyvSG |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-3-4-5-11-20-16(19)10-9-15(18)17-14-8-6-7-13(2)12-14/h6-10,12H,3-5,11H2,1-2H3,(H,17,18)/b10-9+ |
| InChIKey | KNMIXSCFKKIQEM-MDZDMXLPSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9yt0NxqGNGN |
|---|---|
| Name | Fumaric acid, monoamide, N-(3-methylphenyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-3-4-5-11-20-16(19)10-9-15(18)17-14-8-6-7-13(2)12-14/h6-10,12H,3-5,11H2,1-2H3,(H,17,18)/b10-9+ |
| InChIKey | KNMIXSCFKKIQEM-MDZDMXLPSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | CCCCCOC(\C=C\C(NC1=CC=CC(=C1)C)=O)=O |