| SpectraBase Spectrum ID |
3YZww72I8S0 |
| Name |
3H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3A,3B,4,5-tetrahydro-1,3B-dimethyl-, [3as-(3A.alpha.,3B.beta.,7as*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
160.125200515 u |
| Formula |
C12H16 |
| InChI |
InChI=1S/C12H16/c1-9-5-6-10-11(2)7-3-4-8-12(9,10)11/h4-5,8,10H,3,6-7H2,1-2H3/t10-,11-,12+/m0/s1 |
| InChIKey |
GOAGZWVCKOCSLC-SDDRHHMPSA-N |
| Molecular Weight |
160.260 g/mol |
| SMILES |
[C@]123[C@](CCC=C3)(C)[C@@]1(CC=C2C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889138 |
![3H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5-tetrahydro-1,3b-dimethyl-, [3aS-(3a.alpha.,3b.beta.,7aS*)]-](/api/spectrum/3YZww72I8S0/structure.png?h=300&w=458 "3H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5-tetrahydro-1,3b-dimethyl-, [3aS-(3a.alpha.,3b.beta.,7aS*)]-")
