SpectraBase Spectrum ID |
Cl4lsOQDdGg |
Name |
1-(1',3'-Dioxolan-2'-yl)-3-ethyl-1-methoxyhept-1-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
228.172544630 u |
Formula |
C13H24O3 |
InChI |
InChI=1S/C13H24O3/c1-4-6-7-11(5-2)10-12(14-3)13-15-8-9-16-13/h10-11,13H,4-9H2,1-3H3/b12-10+ |
InChIKey |
KHXPVEUVFRUBDT-ZRDIBKRKSA-N |
Molecular Weight |
228.332 g/mol |
SMILES |
C1(\C(=C/C(CC)CCCC)OC)OCCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969996 |