| SpectraBase Spectrum ID |
7C6DhMLP0N9 |
| Name |
Benzyl 6- heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-methoxybenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
690.376783310 u |
| Formula |
C41H54O9 |
| InChI |
InChI=1S/C41H54O9/c1-5-7-9-11-16-20-31-24-34(27-36(46-4)38(31)39(43)47-29-30-18-14-13-15-19-30)50-40(44)37-32(25-33(45-3)26-35(37)42)28-41(48-22-23-49-41)21-17-12-10-8-6-2/h13-15,18-19,24-27,42H,5-12,16-17,20-23,28-29H2,1-4H3 |
| InChIKey |
VWGFORXZTAFYHE-UHFFFAOYSA-N |
| SMILES |
C=1(C(OC2=CC(OC)=C(C(=C2)CCCCCCC)C(OCC=2C=CC=CC2)=O)=O)C(CC2(OCCO2)CCCCCCC)=CC(=CC1O)OC |
![Benzyl 6- heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-methoxybenzoate](/api/spectrum/7C6DhMLP0N9/structure.png?h=300&w=458 "Benzyl 6- heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-methoxybenzoate")
