| SpectraBase Compound ID | 9xyOB2Ifm7c |
|---|---|
| InChI | InChI=1S/C10H12N2O5/c1-5(2)7-4-8(11(14)15)6(3)9(10(7)13)12(16)17/h4-5,13H,1-3H3 |
| InChIKey | XBCVBHKJVWVNID-UHFFFAOYSA-N |
| Mol Weight | 240.21 g/mol |
| Molecular Formula | C10H12N2O5 |
| Exact Mass | 240.074621 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CFRMdgVKDaB |
|---|---|
| Name | 2,4-Dinitrothymol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.074621489 u |
| Formula | C10H12N2O5 |
| InChI | InChI=1S/C10H12N2O5/c1-5(2)7-4-8(11(14)15)6(3)9(10(7)13)12(16)17/h4-5,13H,1-3H3 |
| InChIKey | XBCVBHKJVWVNID-UHFFFAOYSA-N |
| Molecular Weight | 240.215 g/mol |
| SMILES | N(=O)(=O)C=1C(=C(C=C(C1O)C(C)C)N(=O)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.93109 |