| SpectraBase Spectrum ID |
20KK8Kq1if6 |
| Name |
Bicyclo[3.1.1]hept-2-ene, 2,2'-(1,2-ethanediyl)bis[6,6-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.234750966 u |
| Formula |
C20H30 |
| InChI |
InChI=1S/C20H30/c1-19(2)15-9-7-13(17(19)11-15)5-6-14-8-10-16-12-18(14)20(16,3)4/h7-8,15-18H,5-6,9-12H2,1-4H3/t15-,16-,17-,18-/m0/s1 |
| InChIKey |
BYXDIXIKDWCYLH-XSLAGTTESA-N |
| Molecular Weight |
270.460 g/mol |
| SMILES |
CC1([C@]2(CC=C([C@@]1(C2)[H])CCC1=CC[C@@]2(C([C@]1(C2)[H])(C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913136 |
![Bicyclo[3.1.1]hept-2-ene, 2,2'-(1,2-ethanediyl)bis[6,6-dimethyl-](/api/spectrum/20KK8Kq1if6/structure.png?h=300&w=458 "Bicyclo[3.1.1]hept-2-ene, 2,2'-(1,2-ethanediyl)bis[6,6-dimethyl-")
