| SpectraBase Spectrum ID |
2oPwVXiEv8G |
| Name |
Benz(A)anthracene, 6,8-diethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.156500644 u |
| Formula |
C22H20 |
| InChI |
InChI=1S/C22H20/c1-3-15-9-7-10-18-13-22-19-11-6-5-8-17(19)12-16(4-2)21(22)14-20(15)18/h5-14H,3-4H2,1-2H3 |
| InChIKey |
RHTUEBPQRSQIMX-UHFFFAOYSA-N |
| SMILES |
C1(=CC=CC2=C1C=C1C(=CC3=C(C1=C2)C=CC=C3)CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877606 |
