| SpectraBase Spectrum ID |
EZaTf0hWZfZ |
| Name |
(1-Cyclohexylidene-2-oxidanylidene-octan-3-yl) ethanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.188194694 u |
| Formula |
C16H26O3 |
| InChI |
InChI=1S/C16H26O3/c1-3-4-6-11-16(19-13(2)17)15(18)12-14-9-7-5-8-10-14/h12,16H,3-11H2,1-2H3 |
| InChIKey |
RPKRNJULTMPQHC-UHFFFAOYSA-N |
| Molecular Weight |
266.381 g/mol |
| SMILES |
C(C(C(CCCCC)OC(=O)C)=O)=C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91253 |
