SpectraBase Spectrum ID |
DrWCbjmKgWE |
Name |
(4E)-3-Tert-butyl-4-ethoxy-2,2-dimethyl-3-hepta-4,6-dienol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
240.208930140 u |
Formula |
C15H28O2 |
InChI |
InChI=1S/C15H28O2/c1-9-11-12(17-10-2)15(16,13(3,4)5)14(6,7)8/h9,11,16H,1,10H2,2-8H3/b12-11+ |
InChIKey |
UUZATSFFKGFEQI-VAWYXSNFSA-N |
Molecular Weight |
240.387 g/mol |
SMILES |
C(\C(=C/C=C)OCC)(C(C)(C)C)(C(C)(C)C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979477 |