| SpectraBase Spectrum ID |
627mU78A7Ti |
| Name |
(1R,5S)-1-Allyl-5-but-3-enylbicyclo[3.1,0]hexan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-3-5-8-12-9-6-11(14)13(12,10-12)7-4-2/h3-4H,1-2,5-10H2/t12-,13-/m0/s1 |
| InChIKey |
VLPLBFXYMZSAKE-STQMWFEESA-N |
| Molecular Weight |
190.286 g/mol |
| SMILES |
[C@@]12([C@](CCC2=O)(CCC=C)C1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848966 |
![(1R,5S)-1-Allyl-5-but-3-enylbicyclo[3.1,0]hexan-2-one](/api/spectrum/627mU78A7Ti/structure.png?h=300&w=458 "(1R,5S)-1-Allyl-5-but-3-enylbicyclo[3.1,0]hexan-2-one")
