| SpectraBase Spectrum ID |
CBl3ySQJB9r |
| Name |
2-[1-Hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 4ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.189376458 u |
| Formula |
C24H32O12 |
| InChI |
InChI=1S/C24H32O12/c1-12(20(29)17-7-9-18(30-6)10-8-17)32-24-23(35-16(5)28)22(34-15(4)27)21(33-14(3)26)19(36-24)11-31-13(2)25/h7-10,12,19-24,29H,11H2,1-6H3 |
| InChIKey |
JCSBYBOFKNZFSZ-UHFFFAOYSA-N |
| Molecular Weight |
512.508 g/mol |
| SMILES |
C1(OC(C(O)C2=CC=C(OC)C=C2)C)C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946945 |
![2-[1-Hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 4ac derivative](/api/spectrum/CBl3ySQJB9r/structure.png?h=300&w=458 "2-[1-Hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 4ac derivative")
