| SpectraBase Compound ID | GPFdKUHG1PO |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-4-5-10-20-16(19)9-8-15(18)17-14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10H2,1-3H3,(H,17,18)/b9-8+ |
| InChIKey | MDBFQWPQVKKSKD-CMDGGOBGSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YzadUelKH4 |
|---|---|
| Name | Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, butyl 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/c1-4-5-10-20-16(19)9-8-15(18)17-14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10H2,1-3H3,(H,17,18)/b9-8+ |
| InChIKey | MDBFQWPQVKKSKD-CMDGGOBGSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | C(\C=C\C(OCCCC)=O)(NC1=CC=C(C(=C1)C)C)=O |