| SpectraBase Spectrum ID |
FzvKMOfysYP |
| Name |
Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
688.361133245 u |
| Formula |
C41H52O9 |
| InChI |
InChI=1S/C41H52O9/c1-5-7-9-11-13-17-32(42)24-30-16-15-19-38(48-4)36(30)28-49-40(45)29-20-22-34(23-21-29)50-41(46)39-31(26-35(47-3)27-37(39)44)25-33(43)18-14-12-10-8-6-2/h15-16,19-23,26-27,44H,5-14,17-18,24-25,28H2,1-4H3 |
| InChIKey |
QJQWVKZGHAPPDB-UHFFFAOYSA-N |
| Molecular Weight |
688.858 g/mol |
| SMILES |
C=1(C(OC2=CC=C(C(OCC=3C(CC(=O)CCCCCCC)=CC=CC3OC)=O)C=C2)=O)C(=CC(=CC1O)OC)CC(=O)CCCCCCC |
![Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate](/api/spectrum/FzvKMOfysYP/structure.png?h=300&w=458 "Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate")
