| 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 | 6IZ5UKGT1T7 |
|---|---|
| Name | Benzene, (3-nitrobutyl)- |
| Alternate Name(s) | (3-Nitrobutyl)benzene |
| CAS Registry Number | 63819-79-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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 | 179.219 g/mol |
| SMILES | c1cc(ccc1)CCC(N(=O)=O)C |
| SPLASH | splash10-0006-9500000000-dc1fc3b709c8c0f30e86 |
| Wiley ID | 1489348 |