| SpectraBase Spectrum ID |
DSWOj90C08I |
| Name |
6,7,8,10-Tetra-o-acetyl-5,9-anhydro-1,2,3,4-tetradeoxy-1-phenyl-D-glycero-D-gulo-deca-1,3-diynitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.142032344 u |
| Formula |
C24H24O9 |
| InChI |
InChI=1S/C24H24O9/c1-15(25)29-14-21-23(31-17(3)27)24(32-18(4)28)22(30-16(2)26)20(33-21)13-9-8-12-19-10-6-5-7-11-19/h5-7,10-11,20-24H,14H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1 |
| InChIKey |
IZNWVGNVFGCWSJ-OEYYQIPYSA-N |
| Molecular Weight |
456.447 g/mol |
| SMILES |
[C@]1([C@@]([C@@](COC(=O)C)(O[C@]([C@@]1(OC(=O)C)[H])(C#CC#CC1=CC=CC=C1)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971308 |
