| SpectraBase Spectrum ID |
KlQ99kDdHrA |
| Name |
4-(3',5'-dichloro-4'-hydroxy-2'-methoxy-6'-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H32Cl2O7 |
| InChI |
InChI=1S/C26H32Cl2O7/c1-5-7-9-11-15-13-16(14-18(33-3)19(15)25(30)31)35-26(32)20-17(12-10-8-6-2)21(27)23(29)22(28)24(20)34-4/h13-14,29H,5-12H2,1-4H3,(H,30,31) |
| InChIKey |
CKKAGCSPUYIHFM-UHFFFAOYSA-N |
| Molecular Weight |
527.441 g/mol |
| SMILES |
OC(c1c(cc(OC(c2c(c(c(c(c2OC)Cl)O)Cl)CCCCC)=O)cc1CCCCC)OC)=O |
| SPLASH |
splash10-000l-0090000000-743aba539e4f478ceacf |
| Source of Spectrum |
JA-50-971-0 |
| Synonyms |
3,5-Dichloro-4-O-demethylplaniaic acid
4-(3',5'-Dichloro-4'-hydroxy-2'-methoxy-6'-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoate
4-[(3,5-dichloro-4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-2-methoxy-6-pentylbenzoic acid |
| Wiley ID |
1402793 |
