| SpectraBase Compound ID | 5wPezM18QKH |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-6-3-4-9(10(12)13)8(5-6)7(2)11/h3-5H,1-2H3 |
| InChIKey | QTVGOWDJTGISJG-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 | 2G9o46SWZ6 |
|---|---|
| Name | 1-(5-Methyl-2-nitrophenyl)ethanone |
| CAS Registry Number | 69976-70-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-6-3-4-9(10(12)13)8(5-6)7(2)11/h3-5H,1-2H3 |
| InChIKey | QTVGOWDJTGISJG-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | c1(N(=O)=O)c(C(=O)C)cc(cc1)C |
| SPLASH | splash10-02tl-9400000000-393d87d39c84b62eec31 |
| Source of Spectrum | H-62-291-0 |
| Wiley ID | 1175082 |