| SpectraBase Compound ID | 4TrJgMMKwoW |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3 |
| InChIKey | SCEKDQTVGHRSNS-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LcFNhxFm0lU |
|---|---|
| Name | BENZENE, 1,3,5-TRIMETHYL-2-NITRO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3 |
| InChIKey | SCEKDQTVGHRSNS-UHFFFAOYSA-N |
| Molecular Weight | 165.0787 |
| SMILES | c1c(C)c(N(=O)=O)c(C)cc1C |
| SPLASH | splash10-00kg-9700000000-d1432ba52053f5a82434 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |