| SpectraBase Compound ID | Gya5xQK0A3B |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3 |
| InChIKey | CESWKWMCPQDRAT-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JKRB4zbxFdA |
|---|---|
| Name | BENZENE, (3-NITROBUTYL)- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3 |
| InChIKey | CESWKWMCPQDRAT-UHFFFAOYSA-N |
| Molecular Weight | 179.0943 |
| SMILES | c1cccc(CCC(C)N(=O)=O)c1 |
| SPLASH | splash10-0006-9500000000-548337a83e735e426da7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |