| SpectraBase Spectrum ID |
EQhzXkqouA3 |
| Name |
5,8-Dioxo-5,8-dihydro-1-naphthalenyl 2,3,4,6-tetra-o-acetylhexopyranoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.126776201 u |
| Formula |
C24H24O12 |
| InChI |
InChI=1S/C24H24O12/c1-11(25)31-10-19-21(32-12(2)26)22(33-13(3)27)23(34-14(4)28)24(36-19)35-18-7-5-6-15-16(29)8-9-17(30)20(15)18/h5-9,19,21-24H,10H2,1-4H3 |
| InChIKey |
QBMQWGNZFMQQDA-UHFFFAOYSA-N |
| Molecular Weight |
504.444 g/mol |
| SMILES |
CC(=O)OCC1C(C(C(C(O1)OC1=CC=CC2=C1C(C=CC2=O)=O)OC(C)=O)OC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971352 |
