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(4R,7S,8S,9R)-4,7-DIHYDRO-1,3-DIMESITYL-N-PHENYL-4,7-ETHANO-BENZO-[C]-THIOPHEN-8,9-DICARBOXIMIDE
SpectraBase Compound ID Jg4QyFJDhmH
InChI InChI=1S/C36H33NO2S/c1-18-14-20(3)27(21(4)15-18)33-29-25-12-13-26(30(29)34(40-33)28-22(5)16-19(2)17-23(28)6)32-31(25)35(38)37(36(32)39)24-10-8-7-9-11-24/h7-17,25-26,31-32H,1-6H3/t25-,26+,31+,32-
InChIKey BETBUOQIFPIWLN-VGOHZWIPSA-N
Mol Weight 543.7 g/mol
Molecular Formula C36H33NO2S
Exact Mass 543.2232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BQHDObosuL
Name (4R,7S,8S,9R)-4,7-Dihydro-1,3-dimesityl-N-phenyl-4,7-ethano-benzo[c]thiophene-8,9-dicarboximide
CAS Registry Number 128710-00-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H33NO2S
InChI InChI=1S/C36H33NO2S/c1-18-14-20(3)27(21(4)15-18)33-29-25-12-13-26(30(29)34(40-33)28-22(5)16-19(2)17-23(28)6)32-31(25)35(38)37(36(32)39)24-10-8-7-9-11-24/h7-17,25-26,31-32H,1-6H3/t25-,26+,31+,32-
InChIKey BETBUOQIFPIWLN-VGOHZWIPSA-N
Molecular Weight 543.725 g/mol
SMILES C1(N(C([C@@]2([C@@]3(c4c(sc(c4[C@]([C@]12[H])(C=C3)[H])-c1c(cc(cc1C)C)C)-c1c(cc(cc1C)C)C)[H])[H])=O)c1ccccc1)=O
SPLASH splash10-00di-0009020000-1d47a1ed21784868c292
Source of Spectrum K-123-2067-6
Synonyms (1R,7S,8R,12S)-3,5-dimesityl-10-phenyl-4-thia-10-azatetracyclo[5.5.2.0(2,6).0(8,12)]tetradeca-2,5,13-triene-9,11-dione
Wiley ID 1404964