| SpectraBase Spectrum ID |
7SodP2zBUvB |
| Name |
Benzoic acid, 2-(4-carboxy-3-methoxy-5-methylphenoxy)-4-hydroxy-6-methyl-, 1-methyl ester |
| CAS Registry Number |
132281-68-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18O7 |
| InChI |
InChI=1S/C18H18O7/c1-9-5-11(19)7-14(16(9)18(22)24-4)25-12-6-10(2)15(17(20)21)13(8-12)23-3/h5-8,19H,1-4H3,(H,20,21) |
| InChIKey |
SJFUREJGHDVRBD-UHFFFAOYSA-N |
| Molecular Weight |
346.335 g/mol |
| SMILES |
OC(c1c(cc(Oc2c(c(cc(c2)O)C)C(=O)OC)cc1C)OC)=O |
| SPLASH |
splash10-0udj-0009000000-6de8efa33fc7c2cd0332 |
| Source of Spectrum |
B-43-2110-9 |
| Synonyms |
4-(5'-Hydroxy-2'-methoxycarbonyl-3'-methylphenoxy)-2-methoxy-6-methylbenzoic acid
4-[5-hydroxy-2-(methoxycarbonyl)-3-methylphenoxy]-2-methoxy-6-methylbenzoic acid |
| Wiley ID |
1339158 |
