| SpectraBase Spectrum ID |
1JqXub9fTvM |
| Name |
Ethyl 3-(3-chloropropyl)-2-hydroxy-5-(2-hydroxy-5-chlorobenzoyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.053129075 u |
| Formula |
C19H18Cl2O5 |
| InChI |
InChI=1S/C19H18Cl2O5/c1-2-26-19(25)15-9-12(8-11(17(15)23)4-3-7-20)18(24)14-10-13(21)5-6-16(14)22/h5-6,8-10,22-23H,2-4,7H2,1H3 |
| InChIKey |
FFQQUPUUKJXLQA-UHFFFAOYSA-N |
| Molecular Weight |
397.254 g/mol |
| SMILES |
C(C=1C(=C(C=C(C1)C(C=1C(=CC=C(C1)Cl)O)=O)CCCCl)O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923489 |
