| SpectraBase Spectrum ID |
CUYxp3lNIjR |
| Name |
Benzoic acid, 3-(2-carboxy-5-methoxy-3-propylphenoxy)-6-hydroxy-4-(phenylmethoxy)-2-propyl- |
| CAS Registry Number |
113487-83-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H30O8 |
| InChI |
InChI=1S/C28H30O8/c1-4-9-18-13-19(34-3)14-22(24(18)27(30)31)36-26-20(10-5-2)25(28(32)33)21(29)15-23(26)35-16-17-11-7-6-8-12-17/h6-8,11-15,29H,4-5,9-10,16H2,1-3H3,(H,30,31)(H,32,33) |
| InChIKey |
UIBYDRRTYPEBPL-UHFFFAOYSA-N |
| Molecular Weight |
494.540 g/mol |
| SMILES |
OC(c1c(Oc2c(c(C(=O)O)c(cc2OCc2ccccc2)O)CCC)cc(cc1CCC)OC)=O |
| SPLASH |
splash10-0006-9000000000-b11326d93e5e22e3da2a |
| Source of Spectrum |
B-40-1462-36 |
| Synonyms |
2-(2'-Benzyloxy-5'-carboxy-4'-hydroxy-6'-propylphenoxy)-4-methoxy-6-propylbenzoic acid
4-(benzyloxy)-3-(2-carboxy-5-methoxy-3-propylphenoxy)-6-hydroxy-2-propylbenzoic acid |
| Wiley ID |
1397934 |
