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1,4'-Bis[5-(2'-trimethylsilylethoxycarbonyl)-6-(4'-(2"-trimethylsilylethoxycarbonylethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]perfluorobiphenyl
SpectraBase Compound ID D1uS8JDEQ3r
InChI InChI=1S/C76H72F8N2O12Si4/c1-99(2,3)37-33-95-53(87)31-17-41-13-19-43(20-14-41)45-23-25-47-57-49(27-29-51(55(45)57)75(93)97-35-39-101(7,8)9)73(91)85(71(47)89)69-65(81)61(77)59(62(78)66(69)82)60-63(79)67(83)70(68(84)64(60)80)86-72(90)48-26-24-46(44-21-15-42(16-22-44)18-32-54(88)96-34-38-100(4,5)6)56-52(30-28-50(58(48)56)74(86)92)76(94)98-36-40-102(10,11)12/h13-32H,33-40H2,1-12H3/b31-17+,32-18+
InChIKey YXOIIXMAOYDXRV-LTTYKRRRSA-N
Mol Weight 1469.7 g/mol
Molecular Formula C76H72F8N2O12Si4
Exact Mass 1468.403457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7p4blF8vzF7
Name 1,4'-Bis[5-(2'-trimethylsilylethoxycarbonyl)-6-(4'-(2"-trimethylsilylethoxycarbonylethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]perfluorobiphenyl
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C76H72F8N2O12Si4
InChI InChI=1S/C76H72F8N2O12Si4/c1-99(2,3)37-33-95-53(87)31-17-41-13-19-43(20-14-41)45-23-25-47-57-49(27-29-51(55(45)57)75(93)97-35-39-101(7,8)9)73(91)85(71(47)89)69-65(81)61(77)59(62(78)66(69)82)60-63(79)67(83)70(68(84)64(60)80)86-72(90)48-26-24-46(44-21-15-42(16-22-44)18-32-54(88)96-34-38-100(4,5)6)56-52(30-28-50(58(48)56)74(86)92)76(94)98-36-40-102(10,11)12/h13-32H,33-40H2,1-12H3/b31-17+,32-18+
InChIKey YXOIIXMAOYDXRV-LTTYKRRRSA-N
Molecular Weight 1469.741 g/mol
SMILES c1(N2C(c3ccc(c4c3c(C2=O)ccc4-c2ccc(\C=C\C(=O)OCC[Si](C)(C)C)cc2)C(=O)OCC[Si](C)(C)C)=O)c(c(F)c(c(c1F)F)-c1c(c(F)c(N2C(c3ccc(c4c3c(C2=O)ccc4-c2ccc(\C=C\C(=O)OCC[Si](C)(C)C)cc2)C(=O)OCC[Si](C)(C)C)=O)c(c1F)F)F)F
SPLASH splash10-01b9-0001900000-168db3e4b219a32d0c56
Source of Spectrum H1-55-1537-7
Wiley ID 1564577