SpectraBase Spectrum ID |
DUQVk4XmOvl |
Name |
Trans-1-(3""""-cyclopropylidenepropen-1""""-yl)-1-(propen-3'-yl)cyclopropane |
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/c1-2-7-12(9-10-12)8-3-4-11-5-6-11/h2-4,8H,1,5-7,9-10H2/b8-3+ |
InChIKey |
PPVLBRQAXYPOCQ-FPYGCLRLSA-N |
Molecular Weight |
160.260 g/mol |
SMILES |
C1(CC1)=C\C=C\C1(CC1)CC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842911 |