SpectraBase Spectrum ID |
KoUcY0LgQVm |
Name |
2,6,9,9-Trimethyltricyclo[6.3.0.0(4,8)]undecan-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
220.182715392 u |
Formula |
C15H24O |
InChI |
InChI=1S/C15H24O/c1-9-5-6-11-10(2)13(16)12-7-14(3,4)8-15(9,11)12/h9-12H,5-8H2,1-4H3/t9-,10?,11-,12-,15-/m0/s1 |
InChIKey |
CYJRANOSVJQJRA-IFPDENJQSA-N |
Molecular Weight |
220.356 g/mol |
SMILES |
[C@@]123[C@](C(=O)C([C@@]3(CC[C@@]1(C)[H])[H])C)(CC(C2)(C)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910514 |