| SpectraBase Spectrum ID |
IupCs92j5q6 |
| Name |
4,5-Dioxoxanth-1(10)-ene-13.alpha.-methyl-12,8.beta.-olide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-8-6-14-12(10(3)15(18)19-14)7-13(17)11(8)5-4-9(2)16/h10,12,14H,4-7H2,1-3H3/t10-,12?,14?/m1/s1 |
| InChIKey |
UUKUKOWRPZPCIE-PWQPVHBWSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
C1(OC2CC(C)=C(C(CC2[C@]1(C)[H])=O)CCC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977887 |
