| SpectraBase Spectrum ID |
6Yfh5tgthmh |
| Name |
methyl 5-chloro-3-formyl-4-hydroxy-2-(4'-hydroxy-2'-methoxy-5'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21ClO9 |
| InChI |
InChI=1S/C21H21ClO9/c1-8-13(21(27)30-6)19(11(7-23)16(25)14(8)22)31-18-9(2)12(20(26)29-5)15(24)10(3)17(18)28-4/h7,24-25H,1-6H3 |
| InChIKey |
CKAJSBOWPBIUBC-UHFFFAOYSA-N |
| Molecular Weight |
452.843 g/mol |
| SMILES |
Oc1c(c(c(c(Oc2c(c(c(c(c2C)C(=O)OC)O)C)OC)c1C=O)C(=O)OC)C)Cl |
| SPLASH |
splash10-0a4i-9000200000-8ad58a3074058701cff4 |
| Source of Spectrum |
B-48-635-0 |
| Synonyms |
methyl 3-chloro-5-formyl-4-hydroxy-6-[4-hydroxy-2-methoxy-5-(methoxycarbonyl)-3,6-dimethylphenoxy]-2-methylbenzoate |
| Wiley ID |
1388175 |
