| SpectraBase Compound ID | IrJ0EHtzVKN |
|---|---|
| InChI | InChI=1S/C14H11NO4/c1-10-6-8-11(9-7-10)14(16)19-13-5-3-2-4-12(13)15(17)18/h2-9H,1H3 |
| InChIKey | BMBYOAIWRXVQMS-UHFFFAOYSA-N |
| Mol Weight | 257.24 g/mol |
| Molecular Formula | C14H11NO4 |
| Exact Mass | 257.068808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 51jwQ9Pg8pP |
|---|---|
| Name | 4-Methylbenzoic acid (2-nitrophenyl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H11NO4 |
| InChI | InChI=1S/C14H11NO4/c1-10-6-8-11(9-7-10)14(16)19-13-5-3-2-4-12(13)15(17)18/h2-9H,1H3 |
| InChIKey | BMBYOAIWRXVQMS-UHFFFAOYSA-N |
| Molecular Weight | 257.245 g/mol |
| SMILES | c1(N(=O)=O)c(OC(c2ccc(cc2)C)=O)cccc1 |
| SPLASH | splash10-000i-0900000000-950650d2ab97ce560d79 |
| Source of Spectrum | OS-6-176-0 |
| Wiley ID | 1260769 |