SpectraBase Spectrum ID |
FzzS1ba2Pz0 |
Name |
6,10-Dioxaspiro[4.5]decane, 1-(2-bromoethyl)-2-ethenyl-1,8,8-trimethyl-, trans- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
316.103793043 u |
Formula |
C15H25BrO2 |
InChI |
InChI=1S/C15H25BrO2/c1-5-12-6-7-15(14(12,4)8-9-16)17-10-13(2,3)11-18-15/h5,12H,1,6-11H2,2-4H3/t12-,14-/m1/s1 |
InChIKey |
PKZDANVHDUEVHU-TZMCWYRMSA-N |
Molecular Weight |
317.267 g/mol |
SMILES |
C12([C@@]([C@](C=C)(CC2)[H])(CCBr)C)OCC(CO1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949494 |