| SpectraBase Spectrum ID |
2vYlOWsrlHh |
| Name |
Methyl 4-(4'-benzyloxy-3'-chloro-6'-hydroxy-2'-methylbenzoyloxy)-2-hydroxy-5-methoxy-3,6-dimethylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.123795457 u |
| Formula |
C26H25ClO8 |
| InChI |
InChI=1S/C26H25ClO8/c1-13-19(17(28)11-18(21(13)27)34-12-16-9-7-6-8-10-16)26(31)35-24-15(3)22(29)20(25(30)33-5)14(2)23(24)32-4/h6-11,28-29H,12H2,1-5H3 |
| InChIKey |
PMDJAMKTMFNFQY-UHFFFAOYSA-N |
| Molecular Weight |
500.931 g/mol |
| SMILES |
C=1(C(=C(C)C(=C(C1C)OC)OC(C=1C(=C(Cl)C(=CC1O)OCC1=CC=CC=C1)C)=O)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948401 |
