| SpectraBase Spectrum ID |
DckXvKhMhzO |
| Name |
(12R)-12-Methyl-1-oxacyclotridecane-2,10-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.156894565 u |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-11-9-12(14)7-5-3-2-4-6-8-13(15)16-10-11/h11H,2-10H2,1H3/t11-/m1/s1 |
| InChIKey |
DKLVZNYNFUDJKY-LLVKDONJSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C1(OC[C@@](CC(=O)CCCCCCC1)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.99428 |
