| SpectraBase Compound ID | Cl74QFqjvd4 |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-6-3-8(5-11)4-7(2)9(6)10(12)13/h3-5H,1-2H3 |
| InChIKey | SJMJTTXKHFIOEV-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G0pah1YhA65 |
|---|---|
| Name | 3,5-Dimethyl-4-nitrobenzaldehyde |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-6-3-8(5-11)4-7(2)9(6)10(12)13/h3-5H,1-2H3 |
| InChIKey | SJMJTTXKHFIOEV-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | c1(N(=O)=O)c(cc(cc1C)C=O)C |
| SPLASH | splash10-03fr-0900000000-38dab2af665879745977 |
| Source of Spectrum | J-49-1617-0 |
| Wiley ID | 1175080 |