![2-[(E)-(3-methylbenzylidene)amino]isoindoline-1,3-quinone](/api/spectrum/E4j8pHqGT7j/structure.png?h=300&w=458 "2-[(E)-(3-methylbenzylidene)amino]isoindoline-1,3-quinone")
| SpectraBase Compound ID | LVtHAZbyCkd |
|---|---|
| InChI | InChI=1S/C16H12N2O2/c1-11-5-4-6-12(9-11)10-17-18-15(19)13-7-2-3-8-14(13)16(18)20/h2-10H,1H3/b17-10+ |
| InChIKey | FEUSAJPRYXCNSK-LICLKQGHSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C16H12N2O2 |
| Exact Mass | 264.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4j8pHqGT7j |
|---|---|
| Name | 2-[(E)-(3-Methylbenzylidene)amino]isoindoline-1,3-quinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.089877632 u |
| Formula | C16H12N2O2 |
| InChI | InChI=1S/C16H12N2O2/c1-11-5-4-6-12(9-11)10-17-18-15(19)13-7-2-3-8-14(13)16(18)20/h2-10H,1H3/b17-10+ |
| InChIKey | FEUSAJPRYXCNSK-LICLKQGHSA-N |
| Molecular Weight | 264.284 g/mol |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)\N=C\C=1C=C(C)C=CC1)=O |