| SpectraBase Spectrum ID |
K3UG1blokRh |
| Name |
Benzoic acid, 3-(2-carboxy-5-methoxy-3-propylphenoxy)-6-hydroxy-4-(phenylmethoxy)-2-propyl-, 1-methyl ester |
| Alternate Name(s) |
2-(6'-Benzloxy-4'-hydroxy-3'-methoxycarbonyl-2'-propylphenoxy)-4-methoxy-6-propylbenzoic acid
2-[6-(benzyloxy)-4-hydroxy-3-(methoxycarbonyl)-2-propylphenoxy]-4-methoxy-6-propylbenzoic acid |
| CAS Registry Number |
113487-81-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H32O8 |
| InChI |
InChI=1S/C29H32O8/c1-5-10-19-14-20(34-3)15-23(25(19)28(31)32)37-27-21(11-6-2)26(29(33)35-4)22(30)16-24(27)36-17-18-12-8-7-9-13-18/h7-9,12-16,30H,5-6,10-11,17H2,1-4H3,(H,31,32) |
| InChIKey |
NDFIXNNEERZTKA-UHFFFAOYSA-N |
| Molecular Weight |
508.567 g/mol |
| SMILES |
OC(c1c(Oc2c(c(c(cc2OCc2ccccc2)O)C(=O)OC)CCC)cc(cc1CCC)OC)=O |
| SPLASH |
splash10-052f-0800090000-c930e91cae4e399c7b25 |
| Source of Spectrum |
B-40-1461-34 |
| Wiley ID |
1400190 |
