| SpectraBase Spectrum ID |
23pmlSbMWnZ |
| Name |
Dihydroaspyrone, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.099773610 u |
| Formula |
C11H16O5 |
| InChI |
InChI=1S/C11H16O5/c1-6(15-8(3)12)4-9-5-10(13)7(2)16-11(9)14/h5-7,10,13H,4H2,1-3H3/t6-,7+,10-/m0/s1 |
| InChIKey |
AUJNAJTZZVCUKQ-PJKMHFRUSA-N |
| Molecular Weight |
228.244 g/mol |
| SMILES |
C1(C(=C[C@@]([C@](O1)(C)[H])(O)[H])C[C@](C)(OC(=O)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923611 |
