| SpectraBase Spectrum ID |
JW15KWZgv5x |
| Name |
Leoidin diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.032787551 u |
| Formula |
C22H18Cl2O9 |
| InChI |
InChI=1S/C22H18Cl2O9/c1-7-12-19(15(24)20(14(7)23)31-11(5)26)32-17-8(2)13(21(27)29-6)16(30-10(4)25)9(3)18(17)33-22(12)28/h1-6H3 |
| InChIKey |
LQYARKHDHYZSCT-UHFFFAOYSA-N |
| Molecular Weight |
497.283 g/mol |
| SMILES |
C1=2OC(C3=C(OC2C(=C(C(=C1C)OC(=O)C)C(=O)OC)C)C(=C(C(=C3C)Cl)OC(=O)C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940485 |
