| SpectraBase Compound ID | LeGcMHFxooN |
|---|---|
| InChI | InChI=1S/C22H12N2O4/c25-23(26)21-11-3-7-17-15(5-1-9-19(17)21)13-14-16-6-2-10-20-18(16)8-4-12-22(20)24(27)28/h1-12H |
| InChIKey | SMIAIZMZUSXAER-UHFFFAOYSA-N |
| Mol Weight | 368.35 g/mol |
| Molecular Formula | C22H12N2O4 |
| Exact Mass | 368.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ejwzXAY36C |
|---|---|
| Name | 1,2-bis(5-Nitro-1-naphthyl)ethyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.079706870 u |
| Formula | C22H12N2O4 |
| InChI | InChI=1S/C22H12N2O4/c25-23(26)21-11-3-7-17-15(5-1-9-19(17)21)13-14-16-6-2-10-20-18(16)8-4-12-22(20)24(27)28/h1-12H |
| InChIKey | SMIAIZMZUSXAER-UHFFFAOYSA-N |
| Molecular Weight | 368.348 g/mol |
| SMILES | C=1(N(=O)=O)C=2C(=C(C#CC3=C4C(C(N(=O)=O)=CC=C4)=CC=C3)C=CC2)C=CC1 |