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per(trifluoro)acetyl-BP-THT
SpectraBase Compound ID KZxWpCyLORB
InChI InChI=1S/C26H13F9O6/c27-24(28,29)21(36)39-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(40-22(37)25(30,31)32)20(16)41-23(38)26(33,34)35/h1-8,16,19-20H,9H2
InChIKey QQAHUUMYXTYHGM-UHFFFAOYSA-N
Mol Weight 592.37 g/mol
Molecular Formula C26H13F9O6
Exact Mass 592.056842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPmk5YAOhIM
Name per(trifluoro)acetyl-BP-THT
Alternate Name(s) 7,8,9,10-Tetrahydro-7,8,9-tris(trifluoroacetoxy)benzo[a]pyrene 7,8-bis[(trifluoroacetyl)oxy]-7,8,9,10-tetrahydrobenzo[def]chrysen-9-yl trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H13F9O6
InChI InChI=1S/C26H13F9O6/c27-24(28,29)21(36)39-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(40-22(37)25(30,31)32)20(16)41-23(38)26(33,34)35/h1-8,16,19-20H,9H2
InChIKey QQAHUUMYXTYHGM-UHFFFAOYSA-N
Molecular Weight 592.370 g/mol
SMILES c12c(c3ccc4c5c3c(c2)ccc5ccc4)CC(C(C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
SPLASH splash10-0gvo-0077090000-3c6692bffac6f9899139
Source of Spectrum KO-15-491-0
Wiley ID 1409458