| SpectraBase Compound ID | CiShzKdeEJM |
|---|---|
| InChI | InChI=1S/C13H10ClNO2/c1-9-7-11(4-5-12(9)14)17-13(16)10-3-2-6-15-8-10/h2-8H,1H3 |
| InChIKey | AAASMAAYWVGEAM-UHFFFAOYSA-N |
| Mol Weight | 247.68 g/mol |
| Molecular Formula | C13H10ClNO2 |
| Exact Mass | 247.040006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ipUn0tjJJ7 |
|---|---|
| Name | Nicotinic acid, 3-methyl-4-chlorophenyl ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H10ClNO2 |
| InChI | InChI=1S/C13H10ClNO2/c1-9-7-11(4-5-12(9)14)17-13(16)10-3-2-6-15-8-10/h2-8H,1H3 |
| InChIKey | AAASMAAYWVGEAM-UHFFFAOYSA-N |
| Molecular Weight | 247.681 g/mol |
| SMILES | c1c(cncc1)C(Oc1cc(c(cc1)Cl)C)=O |
| SPLASH | splash10-0a4i-6910000000-e611ac89be5a565e438b |
| Source of Spectrum | TIPS-2023-20-0 |
| Wiley ID | 1884728 |