![[(o-Chlorobenzylidene)cyano]acetic acid](/api/spectrum/FQ3d7D3BxvY/structure.png?h=300&w=458 "[(o-Chlorobenzylidene)cyano]acetic acid")
| SpectraBase Compound ID | Grhig0Y2dMQ |
|---|---|
| InChI | InChI=1S/C10H6ClNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+ |
| InChIKey | SPTXWNXTYIDOON-VMPITWQZSA-N |
| Mol Weight | 207.62 g/mol |
| Molecular Formula | C10H6ClNO2 |
| Exact Mass | 207.008706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQ3d7D3BxvY |
|---|---|
| Name | [(o-Chlorobenzylidene)cyano]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.008706135 u |
| Formula | C10H6ClNO2 |
| InChI | InChI=1S/C10H6ClNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+ |
| InChIKey | SPTXWNXTYIDOON-VMPITWQZSA-N |
| Molecular Weight | 207.616 g/mol |
| SMILES | C=1(\C=C\(C(=O)O)C#N)C(Cl)=CC=CC1 |