| SpectraBase Compound ID | 1D4xAVF4G9L |
|---|---|
| InChI | InChI=1S/C9H11NO4/c1-12-7-4-6(10-11)5-8(13-2)9(7)14-3/h4-5H,1-3H3 |
| InChIKey | DLLHRMLYGGVKIQ-UHFFFAOYSA-N |
| Mol Weight | 197.19 g/mol |
| Molecular Formula | C9H11NO4 |
| Exact Mass | 197.068808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9jsVl44QjI2 |
|---|---|
| Name | 1,2,3-Trimethoxy-5-nitrosobenzol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.068807834 u |
| Formula | C9H11NO4 |
| InChI | InChI=1S/C9H11NO4/c1-12-7-4-6(10-11)5-8(13-2)9(7)14-3/h4-5H,1-3H3 |
| InChIKey | DLLHRMLYGGVKIQ-UHFFFAOYSA-N |
| Molecular Weight | 197.190 g/mol |
| SMILES | C=1(C(=C(C=C(C1)N=O)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911729 |