| SpectraBase Spectrum ID |
CfO0oiMT4SB |
| Name |
6-Acetylchrysene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.104465070 u |
| Formula |
C20H14O |
| InChI |
InChI=1S/C20H14O/c1-13(21)19-12-20-15-7-3-2-6-14(15)10-11-18(20)16-8-4-5-9-17(16)19/h2-12H,1H3 |
| InChIKey |
BBPSABLIKDZQNK-UHFFFAOYSA-N |
| Molecular Weight |
270.331 g/mol |
| SMILES |
CC(=O)C=1C=2C=CC=CC2C2=C(C1)C1=C(C=CC=C1)C=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89996 |
