| SpectraBase Compound ID | 106ycakRJiH |
|---|---|
| InChI | InChI=1S/C13H10Cl3NO3/c1-2-5-17-11(18)3-4-12(19)20-13-9(15)6-8(14)7-10(13)16/h2-4,6-7H,1,5H2,(H,17,18)/b4-3+ |
| InChIKey | DFLOCRBWCZQWAR-ONEGZZNKSA-N |
| Mol Weight | 334.59 g/mol |
| Molecular Formula | C13H10Cl3NO3 |
| Exact Mass | 332.972626 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 | 8DoWL0DM2NR |
|---|---|
| Name | Fumaric acid, monoamide, N-allyl-, 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.972626283 u |
| Formula | C13H10Cl3NO3 |
| InChI | InChI=1S/C13H10Cl3NO3/c1-2-5-17-11(18)3-4-12(19)20-13-9(15)6-8(14)7-10(13)16/h2-4,6-7H,1,5H2,(H,17,18)/b4-3+ |
| InChIKey | DFLOCRBWCZQWAR-ONEGZZNKSA-N |
| Molecular Weight | 334.586 g/mol |
| SMILES | C=CCNC(=O)\C=C\C(OC1=C(C=C(Cl)C=C1Cl)Cl)=O |