SpectraBase Spectrum ID |
K3SM0hVwkpR |
Name |
2-Isopropyl-10-methylphenanthrene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.140850580 u |
Formula |
C18H18 |
InChI |
InChI=1S/C18H18/c1-12(2)14-8-9-17-16-7-5-4-6-15(16)10-13(3)18(17)11-14/h4-12H,1-3H3 |
InChIKey |
VNYQWKJAFNCEBZ-UHFFFAOYSA-N |
Molecular Weight |
234.342 g/mol |
SMILES |
C1=2C(=CC=CC2)C2=C(C(=C1)C)C=C(C(C)C)C=C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919435 |