| SpectraBase Spectrum ID |
Jr0rgP6nEzH |
| Name |
Sordariol, tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.147117725 u |
| Formula |
C20H24O8 |
| InChI |
InChI=1S/C20H24O8/c1-12(26-14(3)22)19(27-15(4)23)10-9-17-7-6-8-20(28-16(5)24)18(17)11-25-13(2)21/h6-10,12,19H,11H2,1-5H3/b10-9+/t12-,19-/m1/s1 |
| InChIKey |
AZMZWLPCQNLRDX-BPEDBKPISA-N |
| Molecular Weight |
392.404 g/mol |
| SMILES |
C(C)(=O)OC1=C(COC(C)=O)C(\C=C\[C@]([C@](OC(=O)C)(C)[H])(OC(C)=O)[H])=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856562 |
