| SpectraBase Compound ID | 7poTFyBifaM |
|---|---|
| InChI | InChI=1S/C8H9NO2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | SCLRUEQYJQUIJT-UHFFFAOYSA-N |
| Mol Weight | 151.16 g/mol |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063329 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jo0PJ8CHfRn |
|---|---|
| Name | Benzene, 1-methyl-4-(nitromethyl)- |
| CAS Registry Number | 29559-27-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H9NO2 |
| InChI | InChI=1S/C8H9NO2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | SCLRUEQYJQUIJT-UHFFFAOYSA-N |
| Molecular Weight | 151.165 g/mol |
| SMILES | C(N(=O)=O)c1ccc(cc1)C |
| SPLASH | splash10-0059-9600000000-e644c699b82304755eef |
| Source of Spectrum | AD-0-3640-0 |
| Synonyms | 1-Methyl-4-(nitromethyl)benzene |
| Wiley ID | 10289 |