| SpectraBase Compound ID | Ac6bVsArHDp |
|---|---|
| InChI | InChI=1S/C17H21NO6/c1-3-4-5-6-13(2)23-16(19)11-12-17(20)24-15-9-7-14(8-10-15)18(21)22/h7-13H,3-6H2,1-2H3/b12-11+ |
| InChIKey | HKERSMWRFJNVPW-VAWYXSNFSA-N |
| Mol Weight | 335.36 g/mol |
| Molecular Formula | C17H21NO6 |
| Exact Mass | 335.136887 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 | 9ozrmgQut93 |
|---|---|
| Name | Fumaric acid, 4-nitrophenyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.136887394 u |
| Formula | C17H21NO6 |
| InChI | InChI=1S/C17H21NO6/c1-3-4-5-6-13(2)23-16(19)11-12-17(20)24-15-9-7-14(8-10-15)18(21)22/h7-13H,3-6H2,1-2H3/b12-11+ |
| InChIKey | HKERSMWRFJNVPW-VAWYXSNFSA-N |
| Molecular Weight | 335.356 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OC1=CC=C(C=C1)N(=O)=O)=O |