| SpectraBase Spectrum ID |
90KLMmNMwor |
| Name |
Benzoic acid, 3-(2-carboxy-5-methoxy-3-propylphenoxy)-6-hydroxy-4-(phenylmethoxy)-2-propyl-, 1-methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.209717982 u |
| 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 |
C1(=C(C(OC=2C(=C(CCC)C=C(C2)OC)C(=O)O)=C(C=C1O)OCC=1C=CC=CC1)CCC)C(=O)OC |
