| SpectraBase Spectrum ID |
CHBNFt3p99G |
| Name |
benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxybenzoate |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-heptyl-5-methoxyphenyl 2-hydroxy-4-methoxy-6-(2-oxononyl)benzoate
Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxybenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H50O8 |
| InChI |
InChI=1S/C39H50O8/c1-5-7-9-11-16-20-29-23-33(26-35(45-4)37(29)38(42)46-27-28-18-14-13-15-19-28)47-39(43)36-30(24-32(44-3)25-34(36)41)22-31(40)21-17-12-10-8-6-2/h13-15,18-19,23-26,41H,5-12,16-17,20-22,27H2,1-4H3 |
| InChIKey |
ZNRIOUMTDVZORA-UHFFFAOYSA-N |
| Molecular Weight |
646.821 g/mol |
| SMILES |
Oc1c(C(Oc2cc(OC)c(c(c2)CCCCCCC)C(OCc2ccccc2)=O)=O)c(cc(c1)OC)CC(=O)CCCCCCC |
| SPLASH |
splash10-0006-9000000000-5afe9092a514387f81c0 |
| Source of Spectrum |
JA-49-917-0 |
| Wiley ID |
1412935 |
![benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxybenzoate](/api/spectrum/CHBNFt3p99G/structure.png?h=300&w=458 "benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxybenzoate")
