SpectraBase Spectrum ID |
FEeTOJwoqmZ |
Name |
1-[(Dimethyl)methylene]-3-[(T-butyl)ethynyl]-5,5-dimethylcyclohex-2-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.203450837 u |
Formula |
C17H26 |
InChI |
InChI=1S/C17H26/c1-13(2)15-10-14(8-9-16(3,4)5)11-17(6,7)12-15/h10H,11-12H2,1-7H3 |
InChIKey |
VACZMKBIIRDVBE-UHFFFAOYSA-N |
Molecular Weight |
230.395 g/mol |
SMILES |
C1(C=C(C#CC(C)(C)C)CC(C1)(C)C)=C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928573 |