SpectraBase Spectrum ID |
2AEbhLM5CZK |
Name |
(2R,4rs,6R,10R)-10-Ethoxy-2-methyl-1,7-dioxaspiro[5.5]undecan-4-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.151809184 u |
Formula |
C12H22O4 |
InChI |
InChI=1S/C12H22O4/c1-3-14-11-4-5-15-12(8-11)7-10(13)6-9(2)16-12/h9-11,13H,3-8H2,1-2H3/t9-,10?,11-,12-/m1/s1 |
InChIKey |
IOJXCMYWBDNDMF-DBPBRPCRSA-N |
Molecular Weight |
230.304 g/mol |
SMILES |
C1CO[C@]2(C[C@@]1(OCC)[H])CC(C[C@](O2)(C)[H])O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949079 |