| SpectraBase Compound ID | Gcr2RsP9pXa |
|---|---|
| InChI | InChI=1S/C16H10ClNO6/c17-11-4-3-5-12(10-11)23-15(19)8-9-16(20)24-14-7-2-1-6-13(14)18(21)22/h1-10H/b9-8+ |
| InChIKey | BGDUJOFVJOVGRP-CMDGGOBGSA-N |
| Mol Weight | 347.71 g/mol |
| Molecular Formula | C16H10ClNO6 |
| Exact Mass | 347.019665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPhEGENMXSq |
|---|---|
| Name | Fumaric acid, 2-nitrophenyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.019664740 u |
| Formula | C16H10ClNO6 |
| InChI | InChI=1S/C16H10ClNO6/c17-11-4-3-5-12(10-11)23-15(19)8-9-16(20)24-14-7-2-1-6-13(14)18(21)22/h1-10H/b9-8+ |
| InChIKey | BGDUJOFVJOVGRP-CMDGGOBGSA-N |
| Molecular Weight | 347.710 g/mol |
| SMILES | C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OC1=C(C=CC=C1)N(=O)=O)=O |