| SpectraBase Compound ID | IsG1Pk9eRqU |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-5-3-7(10-13)4-6(2)9(12)8(5)11/h3-4H,1-2H3,(H,11,12) |
| InChIKey | JTNJTPJDLDIAGS-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KtoIRidDUF0 |
|---|---|
| Name | 3,7-Dimethyl-5-nitrosotropolone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.058243151 u |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-5-3-7(10-13)4-6(2)9(12)8(5)11/h3-4H,1-2H3,(H,11,12) |
| InChIKey | JTNJTPJDLDIAGS-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C1(=O)C(=CC(=CC(=C1O)C)N=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95384 |