| SpectraBase Spectrum ID |
CeuDaH1nBZW |
| Name |
Phlorin, hexaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
540.147905568 u |
| Formula |
C24H28O14 |
| InChI |
InChI=1S/C24H28O14/c1-11(25)31-10-20-21(34-14(4)28)22(35-15(5)29)23(36-16(6)30)24(38-20)37-19-8-17(32-12(2)26)7-18(9-19)33-13(3)27/h7-9,20-24H,10H2,1-6H3/t20-,21-,22+,23-,24-/m1/s1 |
| InChIKey |
NPYZETSBCZCOAG-GNADVCDUSA-N |
| Molecular Weight |
540.474 g/mol |
| SMILES |
C1(O[C@@]2(O[C@@]([C@]([C@@]([C@]2(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])=CC(=CC(=C1)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959626 |
