| SpectraBase Compound ID | ELFCTuIsroY |
|---|---|
| InChI | InChI=1S/C9H10ClNO2/c1-6-3-8(5-11(12)13)4-7(2)9(6)10/h3-4H,5H2,1-2H3 |
| InChIKey | KYONYJZHTDSNGJ-UHFFFAOYSA-N |
| Mol Weight | 199.64 g/mol |
| Molecular Formula | C9H10ClNO2 |
| Exact Mass | 199.040006 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 | Fzwu8Hgk0bG |
|---|---|
| Name | 4-Chloro-3,5-dimethyl-phenyl-nitro-methane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.040006264 u |
| Formula | C9H10ClNO2 |
| InChI | InChI=1S/C9H10ClNO2/c1-6-3-8(5-11(12)13)4-7(2)9(6)10/h3-4H,5H2,1-2H3 |
| InChIKey | KYONYJZHTDSNGJ-UHFFFAOYSA-N |
| Molecular Weight | 199.637 g/mol |
| SMILES | C(N(=O)=O)C1=CC(C)=C(Cl)C(C)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823601 |