| SpectraBase Compound ID | 5TVY0E6gUAH |
|---|---|
| InChI | InChI=1S/C14H17NO4/c1-3-10-19-14(17)9-8-13(16)15-11-6-4-5-7-12(11)18-2/h4-9H,3,10H2,1-2H3,(H,15,16)/b9-8+ |
| InChIKey | LPKVSOIGSJUJCJ-CMDGGOBGSA-N |
| Mol Weight | 263.29 g/mol |
| Molecular Formula | C14H17NO4 |
| Exact Mass | 263.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xafZUKrHTN |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-methoxyphenyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.115758027 u |
| Formula | C14H17NO4 |
| InChI | InChI=1S/C14H17NO4/c1-3-10-19-14(17)9-8-13(16)15-11-6-4-5-7-12(11)18-2/h4-9H,3,10H2,1-2H3,(H,15,16)/b9-8+ |
| InChIKey | LPKVSOIGSJUJCJ-CMDGGOBGSA-N |
| Molecular Weight | 263.293 g/mol |
| SMILES | COC=1C=CC=CC1NC(\C=C\C(OCCC)=O)=O |