| SpectraBase Compound ID | 7RmpQ4Mog2T |
|---|---|
| InChI | InChI=1S/C14H12N2O4/c1-9-5-3-7-11(15(17)18)13(9)14-10(2)6-4-8-12(14)16(19)20/h3-8H,1-2H3 |
| InChIKey | UFWJYJCNLOWJCO-UHFFFAOYSA-N |
| Mol Weight | 272.26 g/mol |
| Molecular Formula | C14H12N2O4 |
| Exact Mass | 272.079707 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AMChGy1Phqc |
|---|---|
| Name | 1,1'-Biphenyl, 2,2'-dimethyl-6,6'-dinitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.079706870 u |
| Formula | C14H12N2O4 |
| InChI | InChI=1S/C14H12N2O4/c1-9-5-3-7-11(15(17)18)13(9)14-10(2)6-4-8-12(14)16(19)20/h3-8H,1-2H3 |
| InChIKey | UFWJYJCNLOWJCO-UHFFFAOYSA-N |
| SMILES | CC1=CC=CC(=C1C=1C(C)=CC=CC1N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947722 |