SpectraBase Spectrum ID |
Hanz9FbLp45 |
Name |
(3S,4R,6R)-3,4-Dimethyl-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 |
200.141244501 u |
Formula |
C11H20O3 |
InChI |
InChI=1S/C11H20O3/c1-9-7-14-11(8-10(9,2)12)5-3-4-6-13-11/h9,12H,3-8H2,1-2H3/t9-,10+,11+/m0/s1 |
InChIKey |
RASMWEPLRGJXCE-HBNTYKKESA-N |
Molecular Weight |
200.278 g/mol |
SMILES |
C1[C@@]([C@](C[C@]2(OCCCC2)O1)(C)O)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941938 |