| SpectraBase Spectrum ID |
28hZ0BbXkkY |
| Name |
1-Heptanone, 2-(acetyloxy)-1-cyclohexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.188194694 u |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-3-4-6-11-14(18-12(2)16)15(17)13-9-7-5-8-10-13/h13-14H,3-11H2,1-2H3 |
| InChIKey |
XRLLHRFGYSMKPX-UHFFFAOYSA-N |
| Molecular Weight |
254.370 g/mol |
| SMILES |
C(C(OC(=O)C)CCCCC)(=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894533 |
