| SpectraBase Spectrum ID |
DMq13FNOXPx |
| Name |
Phenanthrene, 1-ethenyl-1,2,3,4,4A,9,10,10A-octahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.156500644 u |
| Formula |
C16H20 |
| InChI |
InChI=1S/C16H20/c1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16/h2-4,6,8,12,15-16H,1,5,7,9-11H2 |
| InChIKey |
QMGJYNXWNUHSCU-UHFFFAOYSA-N |
| Molecular Weight |
212.336 g/mol |
| SMILES |
C12C(CCC3=C2C=CC=C3)C(C=C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891609 |
