![2-[[Cyano-(1,3-diketoindan-2-ylidene)methyl]amino]acetic acid](/api/spectrum/HsQ7GrtZJLA/structure.png?h=300&w=458 "2-[[Cyano-(1,3-diketoindan-2-ylidene)methyl]amino]acetic acid")
| SpectraBase Compound ID | JsRCbCMlm5a |
|---|---|
| InChI | InChI=1S/C13H8N2O4/c14-5-9(15-6-10(16)17)11-12(18)7-3-1-2-4-8(7)13(11)19/h1-4,15H,6H2,(H,16,17) |
| InChIKey | YVMIZKQJOUGRJJ-UHFFFAOYSA-N |
| Mol Weight | 256.22 g/mol |
| Molecular Formula | C13H8N2O4 |
| Exact Mass | 256.048407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HsQ7GrtZJLA |
|---|---|
| Name | 2-[[Cyano-(1,3-diketoindan-2-ylidene)methyl]amino]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.048406742 u |
| Formula | C13H8N2O4 |
| InChI | InChI=1S/C13H8N2O4/c14-5-9(15-6-10(16)17)11-12(18)7-3-1-2-4-8(7)13(11)19/h1-4,15H,6H2,(H,16,17) |
| InChIKey | YVMIZKQJOUGRJJ-UHFFFAOYSA-N |
| SMILES | C1(C(C=2C=CC=CC2C1=O)=O)=C(C#N)NCC(=O)O |