| SpectraBase Compound ID | 5grpBO41HJI |
|---|---|
| InChI | InChI=1S/C9H8ClIO2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-3H,4-5H2,(H,12,13) |
| InChIKey | PSHRKICMDXQWDZ-UHFFFAOYSA-N |
| Mol Weight | 310.52 g/mol |
| Molecular Formula | C9H8ClIO2 |
| Exact Mass | 309.925752 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4FCpD0I59r0 |
|---|---|
| Name | 3-(2-Iodo-6-chlorophenyl)propionic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8ClIO2 |
| InChI | InChI=1S/C9H8ClIO2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-3H,4-5H2,(H,12,13) |
| InChIKey | PSHRKICMDXQWDZ-UHFFFAOYSA-N |
| Molecular Weight | 310.518 g/mol |
| SMILES | OC(CCc1c(I)cccc1Cl)=O |
| SPLASH | splash10-001i-0920000000-16539553341bb75d09c2 |
| Source of Spectrum | AT-33-15-5 |
| Synonyms | 3-(2-Chloro-6-iodophenyl)propanoic acid |
| Wiley ID | 836231 |