SpectraBase Spectrum ID |
CEcZYN0c1J7 |
Name |
exo-5-Tert-butyl-endo-4,5-epoxy-endo-tricyclo[5.2.1.0(2,6)]dec-8-en-exo-3-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
220.146329882 u |
Formula |
C14H20O2 |
InChI |
InChI=1S/C14H20O2/c1-13(2,3)14-10-8-5-4-7(6-8)9(10)11(15)12(14)16-14/h4-5,7-12,15H,6H2,1-3H3/t7-,8+,9+,10-,11-,12+,14-/m1/s1 |
InChIKey |
VTERZWKIWVDITQ-BYMGEYMMSA-N |
Molecular Weight |
220.312 g/mol |
SMILES |
[C@]12([C@]([C@](O)([C@@]3([C@]2([C@]2(C=C[C@@]3(C2)[H])[H])[H])[H])[H])(O1)[H])C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970391 |