SpectraBase Spectrum ID |
2oCCQjOMLHq |
Name |
2-(Iodomethyl)-8,10-dimethyl-1,7-dioxaspiro[5.5]undecane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
324.058624914 u |
Formula |
C12H21IO2 |
InChI |
InChI=1S/C12H21IO2/c1-9-6-10(2)14-12(7-9)5-3-4-11(8-13)15-12/h9-11H,3-8H2,1-2H3 |
InChIKey |
KLIXVXZYDJVWGM-UHFFFAOYSA-N |
Molecular Weight |
324.202 g/mol |
SMILES |
C12(OC(C)CC(C2)C)OC(CI)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955579 |