| SpectraBase Compound ID | 8XXX0Tf7jJ8 |
|---|---|
| InChI | InChI=1S/C13H11N3O4/c14-13-6-5-12(16(19)20)8-10(13)7-9-1-3-11(4-2-9)15(17)18/h1-6,8H,7,14H2 |
| InChIKey | OLXVDHJRIWLRDV-UHFFFAOYSA-N |
| Mol Weight | 273.25 g/mol |
| Molecular Formula | C13H11N3O4 |
| Exact Mass | 273.074956 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FirI204BMRM |
|---|---|
| Name | 2-Amino-4',5'-dinitrodiphenylmethane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.074955842 u |
| Formula | C13H11N3O4 |
| InChI | InChI=1S/C13H11N3O4/c14-13-6-5-12(16(19)20)8-10(13)7-9-1-3-11(4-2-9)15(17)18/h1-6,8H,7,14H2 |
| InChIKey | OLXVDHJRIWLRDV-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C=C(CC=2C=CC(N(=O)=O)=CC2)C(=CC1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935742 |