| SpectraBase Spectrum ID |
9dAXkJqTdDb |
| Name |
Bicyclo[3.1.1]heptane, 2,4,6,6-tetramethyl-3-(1-methylethyl)-, (1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.203450837 u |
| Formula |
C14H26 |
| InChI |
InChI=1S/C14H26/c1-8(2)13-9(3)11-7-12(10(13)4)14(11,5)6/h8-13H,7H2,1-6H3/t9-,10+,11+,12-,13+ |
| InChIKey |
DPJRZZBRKBYAIG-PNWMVKDVSA-N |
| Molecular Weight |
194.362 g/mol |
| SMILES |
[C@]12(C(C)(C)[C@](C2)([C@](C)([C@]([C@@]1(C)[H])(C(C)C)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837899 |
![Bicyclo[3.1.1]heptane, 2,4,6,6-tetramethyl-3-(1-methylethyl)-, (1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.)-](/api/spectrum/9dAXkJqTdDb/structure.png?h=300&w=458 "Bicyclo[3.1.1]heptane, 2,4,6,6-tetramethyl-3-(1-methylethyl)-, (1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.)-")
