| SpectraBase Spectrum ID |
4Wm1soxXG5H |
| Name |
Benzoic acid, 3-chloro-4-methoxy-2,5-dimethyl-6-(phenylmethoxy)-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester |
| CAS Registry Number |
111258-39-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H29ClO7 |
| InChI |
InChI=1S/C28H29ClO7/c1-14-15(2)24(17(4)23(30)20(14)27(31)34-7)36-28(32)21-16(3)22(29)26(33-6)18(5)25(21)35-13-19-11-9-8-10-12-19/h8-12,30H,13H2,1-7H3 |
| InChIKey |
XONYVCXUTIJGSI-UHFFFAOYSA-N |
| Molecular Weight |
512.986 g/mol |
| SMILES |
Oc1c(c(OC(c2c(c(C)c(c(c2C)Cl)OC)OCc2ccccc2)=O)c(c(c1C(=O)OC)C)C)C |
| SPLASH |
splash10-0udi-0009000000-ca86c797e949cd61c4b8 |
| Source of Spectrum |
B-40-1589-32 |
| Synonyms |
3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 2-(benzyloxy)-5-chloro-4-methoxy-3,6-dimethylbenzoate
Methyl 2-O-benzyl-4-O-methyleriodermate
Methyl 4-(5'-chloro-2'-benzyloxy-4'-methoxy-3',6'-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate
Methyl 4-(5'-chloro-4'-benzyloxy-2'-methoxy-3',6'-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate
Methyl 4-O-benzyl-2-O-methyleriodermate |
| Wiley ID |
1400811 |
