| SpectraBase Spectrum ID |
2UejwCcYlJ4 |
| Name |
(3br,7ar)-3B,7,7-Trimethyl-3A,3B,4,5,6,7-hexahydro-3H-cyclopenta[1,3]cyclopropa[1,2]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.156500644 u |
| Formula |
C13H20 |
| InChI |
InChI=1S/C13H20/c1-11(2)7-5-8-12(3)10-6-4-9-13(10,11)12/h4,9-10H,5-8H2,1-3H3/t10?,12-,13-/m1/s1 |
| InChIKey |
VOMLETDNTDNLIG-SKVSWLLESA-N |
| Molecular Weight |
176.303 g/mol |
| SMILES |
[C@@]12([C@]3(C(C)(C)CCC2)C=CCC13)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949661 |
![(3bR,7aR)-3b,7,7-Trimethyl-3a,3b,4,5,6,7-hexahydro-3H-cyclopenta[1,3]cyclopropa[1,2]benzene](/api/spectrum/2UejwCcYlJ4/structure.png?h=300&w=458 "(3bR,7aR)-3b,7,7-Trimethyl-3a,3b,4,5,6,7-hexahydro-3H-cyclopenta[1,3]cyclopropa[1,2]benzene")
