| SpectraBase Spectrum ID |
EiLlbcE7Ubz |
| Name |
Benzoic acid, 3-(2-carboxy-5-methoxy-3-propylphenoxy)-4,6-dihydroxy-2-propyl- |
| CAS Registry Number |
113487-84-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O8 |
| InChI |
InChI=1S/C21H24O8/c1-4-6-11-8-12(28-3)9-16(17(11)20(24)25)29-19-13(7-5-2)18(21(26)27)14(22)10-15(19)23/h8-10,22-23H,4-7H2,1-3H3,(H,24,25)(H,26,27) |
| InChIKey |
BIQMEMMDVXVJMG-UHFFFAOYSA-N |
| Molecular Weight |
404.415 g/mol |
| SMILES |
OC(c1c(Oc2c(c(c(cc2O)O)C(=O)O)CCC)cc(cc1CCC)OC)=O |
| SPLASH |
splash10-0006-0009000000-631a337a66f32d177779 |
| Source of Spectrum |
B-40-1462-38 |
| Synonyms |
2-(5'-Carboxy-2',4'-dihydroxy-6'-propylphenoxy)-4-methoxy-6-propylbenzoic acid
3-(2-carboxy-5-methoxy-3-propylphenoxy)-4,6-dihydroxy-2-propylbenzoic acid |
| Wiley ID |
1371206 |
