| SpectraBase Spectrum ID |
21iELlI0IVr |
| Name |
Bicyclo[4.1.0]heptane, 2-phenyl-, (1.alpha.,2.alpha.,6.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.125200515 u |
| Formula |
C13H16 |
| InChI |
InChI=1S/C13H16/c1-2-5-10(6-3-1)12-8-4-7-11-9-13(11)12/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m0/s1 |
| InChIKey |
QPGSQTNMWANBEN-RWMBFGLXSA-N |
| Molecular Weight |
172.271 g/mol |
| SMILES |
[C@@]12(C[C@@]2(CCC[C@]1(C=1C=CC=CC1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956384 |
![Bicyclo[4.1.0]heptane, 2-phenyl-, (1.alpha.,2.alpha.,6.alpha.)-](/api/spectrum/21iELlI0IVr/structure.png?h=300&w=458 "Bicyclo[4.1.0]heptane, 2-phenyl-, (1.alpha.,2.alpha.,6.alpha.)-")
