SpectraBase Spectrum ID |
2ocbwUjRmTK |
Name |
(4S,9S)-4,9-Diethyl-1,6-dioxaspiro[4.4]nonane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
184.146329882 u |
Formula |
C11H20O2 |
InChI |
InChI=1S/C11H20O2/c1-3-9-5-7-12-11(9)10(4-2)6-8-13-11/h9-10H,3-8H2,1-2H3/t9-,10-,11?/m0/s1 |
InChIKey |
VLEHYXKEWWWUQI-QRHSGQBVSA-N |
Molecular Weight |
184.279 g/mol |
SMILES |
C12(OCC[C@@]2(CC)[H])OCC[C@@]1(CC)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970572 |