| SpectraBase Compound ID | 3C0YqjPd0Df |
|---|---|
| InChI | InChI=1S/C10H12ClNO3/c1-5-9(6(2)13)7(10(11)12-5)3-4-8(14)15/h12H,3-4H2,1-2H3,(H,14,15) |
| InChIKey | BMKWWFJRAOVCBV-UHFFFAOYSA-N |
| Mol Weight | 229.66 g/mol |
| Molecular Formula | C10H12ClNO3 |
| Exact Mass | 229.050571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8wuFTpm1bIK |
|---|---|
| Name | 3-[4-Acetyl-2-chloro-5-methylpyrrole-3-yl]propanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H12ClNO3 |
| InChI | InChI=1S/C10H12ClNO3/c1-5-9(6(2)13)7(10(11)12-5)3-4-8(14)15/h12H,3-4H2,1-2H3,(H,14,15) |
| InChIKey | BMKWWFJRAOVCBV-UHFFFAOYSA-N |
| Molecular Weight | 229.663 g/mol |
| SMILES | [nH]1c(c(CCC(=O)O)c(c1C)C(=O)C)Cl |
| SPLASH | splash10-0103-4910000000-b7fb84b94ce40d11fb96 |
| Source of Spectrum | J-57-5012-15 |
| Wiley ID | 1230561 |