| SpectraBase Compound ID | Fdu46GHChw4 |
|---|---|
| InChI | InChI=1S/C11H13NO4/c1-8(2)7-16-11(13)9-4-3-5-10(6-9)12(14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey | XGXZBLXZWJRBCZ-UHFFFAOYSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C11H13NO4 |
| Exact Mass | 223.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AFEM1i22cM |
|---|---|
| Name | Isobutyl 3-nitrobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13NO4 |
| InChI | InChI=1S/C11H13NO4/c1-8(2)7-16-11(13)9-4-3-5-10(6-9)12(14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey | XGXZBLXZWJRBCZ-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 223.228 g/mol |
| SMILES | CC(C)COC(=O)c1cccc(c1)[N+]([O-])=O |
| SPLASH | splash10-0zfr-9700000000-8652066e0ed4181780eb |
| Source of Spectrum | SRH-2022-1792-0 |
| Wiley ID | 1824165 |