SpectraBase Spectrum ID |
K6PemOGr1e4 |
Name |
7-Isopropyl-1,4-dimethyl-3A,8-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/h5-8,10,14H,9H2,1-4H3 |
InChIKey |
NYDOPYPORDFVNX-UHFFFAOYSA-N |
Molecular Weight |
200.325 g/mol |
SMILES |
C=1(CC=2C(C(=CC1)C)C=CC2C)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958026 |