| SpectraBase Compound ID | 4AV3teqq2aL |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-6-4-3-5-8(7(2)11)9(6)10(12)13/h3-5H,1-2H3 |
| InChIKey | DUCHUNIEWUJFKM-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 | 3VxNvFdXj9 |
|---|---|
| Name | 1-(3-Methyl-2-nitrophenyl)ethanone |
| CAS Registry Number | 69976-71-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-6-4-3-5-8(7(2)11)9(6)10(12)13/h3-5H,1-2H3 |
| InChIKey | DUCHUNIEWUJFKM-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | Cc1c(N(=O)=O)c(C(=O)C)ccc1 |
| SPLASH | splash10-03y3-9500000000-e9a12cd1f005a94384a4 |
| Synonyms | Acetophenone, 3-methyl-2-nitro- |
| Wiley ID | 1438156 |