| SpectraBase Spectrum ID |
InY1EAYpOp6 |
| Name |
Ethyl 3-(3-chloro-2-methylpropyl)-2-hydroxy-5-(2-hydroxybenzoyl)benzoate |
| Comments |
Edited after expert review for air contamination - Original record with SpectrumID 1640337 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21ClO5 |
| InChI |
InChI=1S/C20H21ClO5/c1-3-26-20(25)16-10-14(9-13(19(16)24)8-12(2)11-21)18(23)15-6-4-5-7-17(15)22/h4-7,9-10,12,22,24H,3,8,11H2,1-2H3 |
| InChIKey |
XSKCMZCEXIHIDF-UHFFFAOYSA-N |
| Molecular Weight |
376.836 g/mol |
| SMILES |
Oc1c(C(c2cc(c(c(c2)CC(CCl)C)O)C(=O)OCC)=O)cccc1 |
| SPLASH |
splash10-0fka-0794000000-24e071016e9396015cc2 |
| Source of Spectrum |
F-62-7681-10 |
| Wiley ID |
1820936 |
