| SpectraBase Spectrum ID |
AsYhBG0eWEA |
| Name |
5-Acetoxy-6-acetoxymethyl-2-propa-1,2-dienyl-2H-dihydropyran isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-4-5-11-6-7-12(17-10(3)15)13(18-11)8-16-9(2)14/h5-7,11-13H,1,8H2,2-3H3/t11-,12-,13-/m1/s1 |
| InChIKey |
APNNABCZRNAQAR-JHJVBQTASA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
[C@]1(O[C@@](C=C=C)([H])C=C[C@]1(OC(=O)C)[H])(COC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831118 |
