| SpectraBase Compound ID | CEGcZ2eiTig |
|---|---|
| InChI | InChI=1S/C14H11NO4/c1-10-4-2-5-11(8-10)14(16)19-13-7-3-6-12(9-13)15(17)18/h2-9H,1H3 |
| InChIKey | IWKSWRKTMPLDJW-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 | BIs0iST1NsP |
|---|---|
| Name | 3-Methylbenzoic acid (3-nitrophenyl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H11NO4 |
| InChI | InChI=1S/C14H11NO4/c1-10-4-2-5-11(8-10)14(16)19-13-7-3-6-12(9-13)15(17)18/h2-9H,1H3 |
| InChIKey | IWKSWRKTMPLDJW-UHFFFAOYSA-N |
| Molecular Weight | 257.245 g/mol |
| SMILES | c1(N(=O)=O)cc(OC(c2cc(C)ccc2)=O)ccc1 |
| SPLASH | splash10-000i-0930000000-55ae301de6ef9720d5ee |
| Source of Spectrum | OS-6-138-0 |
| Wiley ID | 1260759 |