| SpectraBase Spectrum ID |
AsJW80rptgU |
| Name |
1H-Cycloprop[E]azulene, decahydro-1,1,7-trimethyl-, [1ar-(1A.alpha.,4A.alpha.,7.alpha.,7A.beta.,7B.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.187800773 u |
| Formula |
C14H24 |
| InChI |
InChI=1S/C14H24/c1-9-7-8-10-5-4-6-11-13(12(9)10)14(11,2)3/h9-13H,4-8H2,1-3H3/t9-,10-,11-,12-,13-/m1/s1 |
| InChIKey |
KUTVGTHUIBLJKT-SYLRKERUSA-N |
| Molecular Weight |
192.346 g/mol |
| SMILES |
C1([C@]2([C@]3([C@](CC[C@]3(C)[H])([H])CCC[C@@]12[H])[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902823 |
![1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-, [1aR-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-](/api/spectrum/AsJW80rptgU/structure.png?h=300&w=458 "1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-, [1aR-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-")
