| SpectraBase Spectrum ID |
KWdiPlMwCJP |
| Name |
Benzoic acid, 4-[2-carboxy-3-methyl-5-(phenylmethoxy)phenoxy]-2-hydroxy-6-methyl-, 1-methyl ester |
| CAS Registry Number |
111699-18-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H22O7 |
| InChI |
InChI=1S/C24H22O7/c1-14-10-18(11-19(25)21(14)24(28)29-3)31-20-12-17(9-15(2)22(20)23(26)27)30-13-16-7-5-4-6-8-16/h4-12,25H,13H2,1-3H3,(H,26,27) |
| InChIKey |
CMXBMZFSDTVARK-UHFFFAOYSA-N |
| Molecular Weight |
422.433 g/mol |
| SMILES |
Oc1cc(Oc2c(C(=O)O)c(cc(c2)OCc2ccccc2)C)cc(c1C(=O)OC)C |
| SPLASH |
splash10-0006-9000000000-419c8bf777b131fa83fb |
| Source of Spectrum |
B-40-190-7 |
| Synonyms |
4-(benzyloxy)-2-[3-hydroxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methylbenzoic acid
4-Benzyloxy-2-(3'-hydroxy-4'-methoxycarbonyl-5'-methylphenoxy)-6-methylbenzoic acid |
| Wiley ID |
1378625 |
![Benzoic acid, 4-[2-carboxy-3-methyl-5-(phenylmethoxy)phenoxy]-2-hydroxy-6-methyl-, 1-methyl ester](/api/spectrum/KWdiPlMwCJP/structure.png?h=300&w=458 "Benzoic acid, 4-[2-carboxy-3-methyl-5-(phenylmethoxy)phenoxy]-2-hydroxy-6-methyl-, 1-methyl ester")
