| SpectraBase Spectrum ID |
BTci9Spfq9e |
| Name |
2,6-Dicyclohexyl-5-methylene-1,3-dioxan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-12-15(13-8-4-2-5-9-13)19-17(20-16(12)18)14-10-6-3-7-11-14/h13-15,17H,1-11H2 |
| InChIKey |
JNLIOBIATCBMDY-UHFFFAOYSA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
C1(C(OC(OC1C1CCCCC1)C1CCCCC1)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906339 |
