| SpectraBase Spectrum ID |
6dSraWIzqOE |
| Name |
Ethyl 3-(2-bromoethyl)-5-(3-chloropropyl)-6-hydroxy-2,4-dimethylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.044085265 u |
| Formula |
C16H22BrClO3 |
| InChI |
InChI=1S/C16H22BrClO3/c1-4-21-16(20)14-11(3)12(7-8-17)10(2)13(15(14)19)6-5-9-18/h19H,4-9H2,1-3H3 |
| InChIKey |
GESYLMNXNOIEIH-UHFFFAOYSA-N |
| Molecular Weight |
377.706 g/mol |
| SMILES |
C(C=1C(=C(C(=C(C1O)CCCCl)C)CCBr)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822464 |
