| SpectraBase Spectrum ID |
EWLTWf9nAQz |
| Name |
2-Fluoro-7,8,9,10-tetrahydrobenzo[A]pyrene-7,8,9,10-tetraol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.095437122 u |
| Formula |
C20H15FO4 |
| InChI |
InChI=1S/C20H15FO4/c21-11-5-8-1-2-10-7-13-16(18(23)20(25)19(24)17(13)22)12-4-3-9(6-11)14(8)15(10)12/h1-7,17-20,22-25H |
| InChIKey |
RDEXCSSXJUBICT-UHFFFAOYSA-N |
| Molecular Weight |
338.334 g/mol |
| SMILES |
C=12C(C(O)C(C(C2O)O)O)=CC2=C3C1C=CC=1C=C(F)C=C(C31)C=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83097 |
![2-Fluoro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetraol](/api/spectrum/EWLTWf9nAQz/structure.png?h=300&w=458 "2-Fluoro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetraol")
