| SpectraBase Compound ID | GwTMKY3RTe4 |
|---|---|
| InChI | InChI=1S/C15H17NO6/c1-2-3-4-10-21-14(17)8-9-15(18)22-13-7-5-6-12(11-13)16(19)20/h5-9,11H,2-4,10H2,1H3/b9-8+ |
| InChIKey | RJOFSOVMAPRYIW-CMDGGOBGSA-N |
| Mol Weight | 307.3 g/mol |
| Molecular Formula | C15H17NO6 |
| Exact Mass | 307.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKjDSzTwQKd |
|---|---|
| Name | Fumaric acid, 3-nitrophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.105587265 u |
| Formula | C15H17NO6 |
| InChI | InChI=1S/C15H17NO6/c1-2-3-4-10-21-14(17)8-9-15(18)22-13-7-5-6-12(11-13)16(19)20/h5-9,11H,2-4,10H2,1H3/b9-8+ |
| InChIKey | RJOFSOVMAPRYIW-CMDGGOBGSA-N |
| SMILES | C1=CC=C(OC(\C=C\C(OCCCCC)=O)=O)C=C1N(=O)=O |