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10-(tert-Butyl)-8-(4-fluorophenyl)benzo[k]phenanthridine
SpectraBase Compound ID FLtdnAqdYkv
InChI InChI=1S/C27H22FN/c1-27(2,3)19-10-13-21-24(15-19)23(17-8-11-20(28)12-9-17)14-18-16-29-25-7-5-4-6-22(25)26(18)21/h4-16H,1-3H3
InChIKey XWPUOGWCVOWEHS-UHFFFAOYSA-N
Mol Weight 379.48 g/mol
Molecular Formula C27H22FN
Exact Mass 379.173628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EspFiQJawa8
Name 10-(tert-Butyl)-8-(4-fluorophenyl)benzo[k]phenanthridine
Appearance Yellow solid
Carrier Gas Helium
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Exact Mass 379.173627875 u
Formula C27H22FN
InChI InChI=1S/C27H22FN/c1-27(2,3)19-10-13-21-24(15-19)23(17-8-11-20(28)12-9-17)14-18-16-29-25-7-5-4-6-22(25)26(18)21/h4-16H,1-3H3
InChIKey XWPUOGWCVOWEHS-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900913
Molecular Weight 379.478 g/mol
Reported Formula C27H22NF
SMILES C1(=CC=C(C=C1)F)C1=CC2=C(C3=C(C=CC=C3)N=C2)C2=C1C=C(C=C2)C(C)(C)C
SPLASH splash10-03fr-0009000000-b3e7c45db9bc0364299c
Source of Spectrum K1-2019-6196-14d (DOI: 10.1002/ejoc.201900913)
Wiley ID 1892164