| SpectraBase Compound ID | 9yfjAb6c6rk |
|---|---|
| InChI | InChI=1S/C13H16BrClO3/c1-17-12-9-10(15)6-7-11(12)18-13(16)5-3-2-4-8-14/h6-7,9H,2-5,8H2,1H3 |
| InChIKey | VLVQMIUQPNNAQI-UHFFFAOYSA-N |
| Mol Weight | 335.63 g/mol |
| Molecular Formula | C13H16BrClO3 |
| Exact Mass | 333.997135 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jcy7wGBigWs |
|---|---|
| Name | 6-Bromocaproic acid, 2-methoxy-4-chlorophenyl ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16BrClO3 |
| InChI | InChI=1S/C13H16BrClO3/c1-17-12-9-10(15)6-7-11(12)18-13(16)5-3-2-4-8-14/h6-7,9H,2-5,8H2,1H3 |
| InChIKey | VLVQMIUQPNNAQI-UHFFFAOYSA-N |
| Molecular Weight | 335.625 g/mol |
| SMILES | C(CCCCCBr)(Oc1c(cc(cc1)Cl)OC)=O |
| SPLASH | splash10-0a4i-3900000000-eb2dc6e3d0470f2f86bd |
| Source of Spectrum | TIPS-2023-92-0 |
| Wiley ID | 1884800 |