| SpectraBase Spectrum ID |
57GCibbQYko |
| Name |
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-(3-methyl-1,3-butadienyl)-, exo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.172150708 u |
| Formula |
C14H22 |
| InChI |
InChI=1S/C14H22/c1-10(2)5-8-13-11-6-7-12(9-11)14(13,3)4/h5,8,11-13H,1,6-7,9H2,2-4H3/b8-5+/t11-,12-,13+/m0/s1 |
| InChIKey |
FZHNPVQRRSMRDG-YTXQKUPLSA-N |
| Molecular Weight |
190.330 g/mol |
| SMILES |
C1([C@](\C=C\C(=C)C)([C@@]2(C[C@@]1(CC2)[H])[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98367 |
![Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-(3-methyl-1,3-butadienyl)-, exo-](/api/spectrum/57GCibbQYko/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-(3-methyl-1,3-butadienyl)-, exo-")
