| SpectraBase Spectrum ID |
FicqyDfk2GD |
| Name |
Benzoic acid, 3,5-dichloro-2,4-dimethoxy-6-pentyl-, 3-methoxy-4-(methoxycarbonyl)-5-pentylphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
554.183808892 u |
| Formula |
C28H36Cl2O7 |
| InChI |
InChI=1S/C28H36Cl2O7/c1-7-9-11-13-17-15-18(16-20(33-3)21(17)27(31)36-6)37-28(32)22-19(14-12-10-8-2)23(29)26(35-5)24(30)25(22)34-4/h15-16H,7-14H2,1-6H3 |
| InChIKey |
UVYGBRWNWAONPA-UHFFFAOYSA-N |
| Molecular Weight |
555.495 g/mol |
| SMILES |
C=1(C(OC=2C=C(OC)C(=C(C2)CCCCC)C(=O)OC)=O)C(=C(Cl)C(=C(C1CCCCC)Cl)OC)OC |
