SpectraBase Spectrum ID |
Ix3cmy6jI1Y |
Name |
5-Isopropyl-3,8-dimethyl-1,6-dihydroazulene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
200.156500644 u |
Formula |
C15H20 |
InChI |
InChI=1S/C15H20/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-6,9-10H,7-8H2,1-4H3 |
InChIKey |
KFFRWKKWSVNIIS-UHFFFAOYSA-N |
Molecular Weight |
200.325 g/mol |
SMILES |
C12=C(C(=CCC(=C2)C(C)C)C)CC=C1C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852015 |