| SpectraBase Spectrum ID |
LcprqejgebX |
| Name |
Benzoic acid, 3-(2-carboxy-5-methoxy-3-propylphenoxy)-4,6-dihydroxy-2-propyl-, 1-methyl ester |
| CAS Registry Number |
113487-86-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O8 |
| InChI |
InChI=1S/C22H26O8/c1-5-7-12-9-13(28-3)10-17(18(12)21(25)26)30-20-14(8-6-2)19(22(27)29-4)15(23)11-16(20)24/h9-11,23-24H,5-8H2,1-4H3,(H,25,26) |
| InChIKey |
AZLWKMBMGBJHAB-UHFFFAOYSA-N |
| Molecular Weight |
418.442 g/mol |
| SMILES |
OC(c1c(Oc2c(c(c(cc2O)O)C(=O)OC)CCC)cc(cc1CCC)OC)=O |
| SPLASH |
splash10-00kr-0009500000-ee84d9a53c6063163c03 |
| Source of Spectrum |
B-40-1463-40 |
| Synonyms |
2-(2',4'-Dihydroxy-5'-methoxycarbonyl-6'-propylphenoxy)-4-methoxy-6-propylbenzoic acid
2-[4,6-dihydroxy-3-(methoxycarbonyl)-2-propylphenoxy]-4-methoxy-6-propylbenzoic acid |
| Wiley ID |
1377145 |
