| SpectraBase Spectrum ID |
EZgUk2yk6K9 |
| Name |
Benzoic acid, 2,4-dihydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester |
| CAS Registry Number |
480-56-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14O7 |
| InChI |
InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21) |
| InChIKey |
HEMSJKZDHNSSEW-UHFFFAOYSA-N |
| Molecular Weight |
318.281 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2C)O)O)=O)cc(c1C(=O)O)C |
| SPLASH |
splash10-00di-0900000000-a854974c9ea772e09cd3 |
| Source of Spectrum |
G4-70-318-3 |
| Synonyms |
Lecanoric acid
2,4-Dihydroxy-6-methylbenzoic acid 4-carboxy-3-hydroxy-5-methylphenyl ester
4-[(2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-6-methylbenzoic acid
2-methyl-4-[2-methyl-4,6-bis(oxidanyl)phenyl]carbonyloxy-6-oxidanyl-benzoic acid
4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoic acid
4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid
BRN 2172778
NSC 249981 |
| Wiley ID |
1694868 |
