| SpectraBase Spectrum ID |
LkK5m5Skuwc |
| Name |
D-Glycero-L-gulo-octitol, 2,6:5,7-dianhydro-8-deoxy-7-C-methyl-, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.131467660 u |
| Formula |
C15H22O8 |
| InChI |
InChI=1S/C15H22O8/c1-7(16)19-6-10-11(20-8(2)17)12(21-9(3)18)13-14(22-10)15(4,5)23-13/h10-14H,6H2,1-5H3 |
| InChIKey |
KDESCGKRQCKSEC-UHFFFAOYSA-N |
| Molecular Weight |
330.333 g/mol |
| SMILES |
C(OC1C2C(OC(C1OC(C)=O)COC(C)=O)C(O2)(C)C)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969698 |
