| SpectraBase Spectrum ID |
KbQCk5ySyhg |
| Name |
(Trans,anti,cis)-1-methyltricyclo[7.2.0.0(2,7)]undecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
164.156500644 u |
| Formula |
C12H20 |
| InChI |
InChI=1S/C12H20/c1-12-7-6-10(12)8-9-4-2-3-5-11(9)12/h9-11H,2-8H2,1H3/t9-,10-,11-,12+/m1/s1 |
| InChIKey |
ATEVVZQUNILZCS-KKOKHZNYSA-N |
| Molecular Weight |
164.292 g/mol |
| SMILES |
[C@]12([C@]3([C@@](CCCC3)([H])C[C@@]1([H])CC2)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915488 |
![(Trans,anti,cis)-1-methyltricyclo[7.2.0.0(2,7)]undecane](/api/spectrum/KbQCk5ySyhg/structure.png?h=300&w=458 "(Trans,anti,cis)-1-methyltricyclo[7.2.0.0(2,7)]undecane")
