SpectraBase Spectrum ID |
Ifn8kXJtWM3 |
Name |
(trans)-[7S,8S]-bis(Benzoyloxy)-7,8-dihydro-2-fluorobenzo[a]pyrene |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C34H21FO4 |
InChI |
InChI=1S/C34H21FO4/c35-25-17-22-11-12-24-19-28-26(27-14-13-23(18-25)30(22)31(24)27)15-16-29(38-33(36)20-7-3-1-4-8-20)32(28)39-34(37)21-9-5-2-6-10-21/h1-19,29,32H/t29-,32-/m0/s1 |
InChIKey |
ZFCWHVVULSJVKF-NYDCQLBNSA-N |
Molecular Weight |
512.536 g/mol |
SMILES |
c12c(c3ccc4c5c3c(c2)ccc5cc(F)c4)C=C[C@@]([C@]1(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H] |
SPLASH |
splash10-0a4j-1901000000-661af2accbb7aa9e444f |
Source of Spectrum |
CRT-19-245-18 |
Wiley ID |
1710191 |