| SpectraBase Compound ID | 2mrkijYfe1F |
|---|---|
| InChI | InChI=1S/C18H12N2O3/c19-8-7-10(9-20)15-11-3-1-5-13(21)16(11)18(23)17-12(15)4-2-6-14(17)22/h1-6,10,15,21-22H,7H2 |
| InChIKey | CSVZCOLNJUVAEC-UHFFFAOYSA-N |
| Mol Weight | 304.31 g/mol |
| Molecular Formula | C18H12N2O3 |
| Exact Mass | 304.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XWfk5vGoOw |
|---|---|
| Name | 10-(1,2-Dicyanoethyl)-1,8-dihydroxy-9(10H)-anthracenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.084792251 u |
| Formula | C18H12N2O3 |
| InChI | InChI=1S/C18H12N2O3/c19-8-7-10(9-20)15-11-3-1-5-13(21)16(11)18(23)17-12(15)4-2-6-14(17)22/h1-6,10,15,21-22H,7H2 |
| InChIKey | CSVZCOLNJUVAEC-UHFFFAOYSA-N |
| Molecular Weight | 304.305 g/mol |
| SMILES | C1(C2=C(C=CC=C2O)C(C=2C1=C(O)C=CC2)C(C#N)CC#N)=O |