| SpectraBase Spectrum ID |
DutpvpEeZtc |
| Name |
3,4-o-Acetone sedoheptulosan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.094688229 u |
| Formula |
C10H16O6 |
| InChI |
InChI=1S/C10H16O6/c1-9(2)15-6-5-3-13-10(4-11,14-5)8(12)7(6)16-9/h5-8,11-12H,3-4H2,1-2H3 |
| InChIKey |
VHZHPTXPNUYFAG-UHFFFAOYSA-N |
| Molecular Weight |
232.232 g/mol |
| SMILES |
C12C(C3OC(C2O)(CO)OC3)OC(O1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814504 |
