| SpectraBase Spectrum ID |
8ufzCXaJJ5P |
| Name |
Benzoic acid, 3-(2-carboxy-5-methoxy-3-propylphenoxy)-4,6-dihydroxy-2-pentyl- |
| Alternate Name(s) |
2-(5'-Carboxy-2',4'-dihydroxy-6'-pentylphenoxy)-4-methoxy-6-propylbenzoic acid
3-(2-carboxy-5-methoxy-3-propylphenoxy)-4,6-dihydroxy-2-pentylbenzoic acid |
| CAS Registry Number |
113487-85-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H28O8 |
| InChI |
InChI=1S/C23H28O8/c1-4-6-7-9-15-20(23(28)29)16(24)12-17(25)21(15)31-18-11-14(30-3)10-13(8-5-2)19(18)22(26)27/h10-12,24-25H,4-9H2,1-3H3,(H,26,27)(H,28,29) |
| InChIKey |
RQCUZIDFOIDEOP-UHFFFAOYSA-N |
| Molecular Weight |
432.469 g/mol |
| SMILES |
OC(c1c(Oc2c(c(c(cc2O)O)C(=O)O)CCCCC)cc(cc1CCC)OC)=O |
| SPLASH |
splash10-00di-0009000000-11a69dbdc63ea75261b9 |
| Source of Spectrum |
B-40-1463-39 |
| Wiley ID |
1382239 |
