| SpectraBase Spectrum ID |
DMjKN3fvqDE |
| Name |
Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxybenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
662.345483181 u |
| Formula |
C39H50O9 |
| InChI |
InChI=1S/C39H50O9/c1-5-7-9-10-14-18-29-22-32(25-34(44-4)36(29)37(41)45-27-28-16-12-11-13-17-28)48-38(42)35-30(23-31(43-3)24-33(35)40)26-39(19-15-8-6-2)46-20-21-47-39/h11-13,16-17,22-25,40H,5-10,14-15,18-21,26-27H2,1-4H3 |
| InChIKey |
LAJZXMYTTWUIGV-UHFFFAOYSA-N |
| SMILES |
C1(C(OC=2C=C(OC)C(=C(C2)CCCCCCC)C(OCC=2C=CC=CC2)=O)=O)=C(CC2(OCCO2)CCCCC)C=C(C=C1O)OC |
![Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxybenzoate](/api/spectrum/DMjKN3fvqDE/structure.png?h=300&w=458 "Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxybenzoate")
