| SpectraBase Spectrum ID |
31EpCLOJaCo |
| Name |
D-Alloseptanose, 2,5-anhydro-3,4-o-(1-methylethylidene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.084123546 u |
| Formula |
C9H14O5 |
| InChI |
InChI=1S/C9H14O5/c1-9(2)13-7-5(3-10)12-6(4-11)8(7)14-9/h3,5-8,11H,4H2,1-2H3/t5-,6+,7?,8?/m0/s1 |
| InChIKey |
PVONWOCZRFFKGW-JAFIHTMFSA-N |
| Molecular Weight |
202.206 g/mol |
| SMILES |
C12C(OC(O2)(C)C)[C@@](CO)(O[C@]1(C=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834559 |
