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2, 2'-Di[3-(trifluoromethyl)phenoxy]-3, 3'-(1, 4-phenylene)bis(thieno[3, 2-d] pyrimidin-4(3H)-one)

View entire compound with spectra: 1 MS (GC)

2, 2'-Di[3-(trifluoromethyl)phenoxy]-3, 3'-(1, 4-phenylene)bis(thieno[3, 2-d] pyrimidin-4(3H)-one)
SpectraBase Compound ID DjAv0sURkdN
InChI InChI=1S/C32H16F6N4O4S2/c33-31(34,35)17-3-1-5-21(15-17)45-29-39-23-11-13-47-25(23)27(43)41(29)19-7-9-20(10-8-19)42-28(44)26-24(12-14-48-26)40-30(42)46-22-6-2-4-18(16-22)32(36,37)38/h1-16H
InChIKey NRAZOBMFBLTOIP-UHFFFAOYSA-N
Mol Weight 698.6 g/mol
Molecular Formula C32H16F6N4O4S2
Exact Mass 698.051716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOwYQBqHvfc
Name 2, 2'-Di[3-(trifluoromethyl)phenoxy]-3, 3'-(1, 4-phenylene)bis(thieno[3, 2-d] pyrimidin-4(3H)-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H16F6N4O4S2
InChI InChI=1S/C32H16F6N4O4S2/c33-31(34,35)17-3-1-5-21(15-17)45-29-39-23-11-13-47-25(23)27(43)41(29)19-7-9-20(10-8-19)42-28(44)26-24(12-14-48-26)40-30(42)46-22-6-2-4-18(16-22)32(36,37)38/h1-16H
InChIKey NRAZOBMFBLTOIP-UHFFFAOYSA-N
Molecular Weight 698.614 g/mol
SMILES C=1(N(C(c2c(N1)ccs2)=O)c1ccc(N2C(=Nc3c(C2=O)scc3)Oc2cc(C(F)(F)F)ccc2)cc1)Oc1cc(C(F)(F)F)ccc1
SPLASH splash10-00kk-6290056100-7f20936efad0cdd579e0
Source of Spectrum Y-50-852-5g
Synonyms 2,2'-Di[3-(trifluoromethyl)phenoxy]-3,3'-(1,4-phenylene)bis(thieno[3,2-d] pyrimidin-4(3H)-one) 3,3'-(1,4-phenylene)bis(2-(3-(trifluoromethyl)phenoxy)thieno[3,2-d]pyrimidin-4(3H)-one)
Wiley ID 1736603