SpectraBase Spectrum ID |
FFcpbcHxje6 |
Name |
6-Hydroxy-3,7-dimethyl-2,7-octadienyl acetate(E) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.141244501 u |
Formula |
C12H20O3 |
InChI |
InChI=1S/C12H20O3/c1-9(2)12(14)6-5-10(3)7-8-15-11(4)13/h7,12,14H,1,5-6,8H2,2-4H3/b10-7+ |
InChIKey |
AJCBRFGINYAOCJ-JXMROGBWSA-N |
Molecular Weight |
212.289 g/mol |
SMILES |
C(C)(=O)OC\C=C\(CCC(C(=C)C)O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945035 |