| SpectraBase Spectrum ID |
7sZa95WxBik |
| Name |
2,3B-Methano-3bh-cyclopenta[1,3]cyclopropa[1,2]benzene, 1,2,3,3A,4,5-hexahydro-3,3-dimethyl-, [2R-(2.alpha.,3A.beta.,3B.alpha.,7ar*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
174.140850580 u |
| Formula |
C13H18 |
| InChI |
InChI=1S/C13H18/c1-11(2)9-7-12-5-3-4-6-13(12,8-9)10(11)12/h3,5,9-10H,4,6-8H2,1-2H3/t9-,10-,12-,13+/m0/s1 |
| InChIKey |
SLAZRCTUGPNRLJ-XRRVDJEJSA-N |
| Molecular Weight |
174.287 g/mol |
| SMILES |
[C@]123[C@@]4(C[C@@](C3)([H])C([C@@]14[H])(C)C)CCC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860962 |
![2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene, 1,2,3,3a,4,5-hexahydro-3,3-dimethyl-, [2R-(2.alpha.,3a.beta.,3b.alpha.,7aR*)]-](/api/spectrum/7sZa95WxBik/structure.png?h=300&w=458 "2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene, 1,2,3,3a,4,5-hexahydro-3,3-dimethyl-, [2R-(2.alpha.,3a.beta.,3b.alpha.,7aR*)]-")
