| SpectraBase Spectrum ID |
KlbxtTM2579 |
| Name |
(Z)-1-o-Acetyl-2,3-dideoxy-4,5-o-isopropylidene-D-glycero-pent-2-enitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.104858991 u |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-8(11)12-6-4-5-9-7-13-10(2,3)14-9/h4-5,9H,6-7H2,1-3H3/b5-4-/t9-/m0/s1 |
| InChIKey |
DDBBNQPBZLVQHR-WBSSQXGSSA-N |
| Molecular Weight |
200.234 g/mol |
| SMILES |
C1(O[C@@](\C=C/COC(=O)C)(CO1)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813687 |
