![Cyanoacetic acid, [(5-indanyl)methylene]hydrazide](/api/spectrum/3ioYMG3qbc3/structure.png?h=300&w=458 "Cyanoacetic acid, [(5-indanyl)methylene]hydrazide")
| SpectraBase Compound ID | LotCJqIJQNx |
|---|---|
| InChI | InChI=1S/C13H13N3O/c14-7-6-13(17)16-15-9-10-4-5-11-2-1-3-12(11)8-10/h4-5,8-9H,1-3,6H2,(H,16,17)/b15-9+ |
| InChIKey | SKOCQMRINLUPCK-OQLLNIDSSA-N |
| Mol Weight | 227.27 g/mol |
| Molecular Formula | C13H13N3O |
| Exact Mass | 227.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ioYMG3qbc3 |
|---|---|
| Name | Cyanoacetic acid, [(5-indanyl)methylene]hydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.105862050 u |
| Formula | C13H13N3O |
| InChI | InChI=1S/C13H13N3O/c14-7-6-13(17)16-15-9-10-4-5-11-2-1-3-12(11)8-10/h4-5,8-9H,1-3,6H2,(H,16,17)/b15-9+ |
| InChIKey | SKOCQMRINLUPCK-OQLLNIDSSA-N |
| Molecular Weight | 227.267 g/mol |
| SMILES | N(\N=C\C1=CC=C2CCCC2=C1)C(CC#N)=O |