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trans-3-(4'-nitrophenyl)-5-phenyl-1-(2'-iodobenzoyl)-2-(3'-furyl)methylpyrazolidine
SpectraBase Compound ID 1YAVK4TCF4o
InChI InChI=1S/C27H22IN3O4/c28-24-9-5-4-8-23(24)27(32)30-26(20-6-2-1-3-7-20)16-25(29(30)17-19-14-15-35-18-19)21-10-12-22(13-11-21)31(33)34/h1-15,18,25-26H,16-17H2/t25-,26-/m0/s1
InChIKey BKYFGNJTOMLKPI-UIOOFZCWSA-N
Mol Weight 579.39 g/mol
Molecular Formula C27H22IN3O4
Exact Mass 579.065501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11JGOG7joZ
Name trans-3-(4'-nitrophenyl)-5-phenyl-1-(2'-iodobenzoyl)-2-(3'-furyl)methylpyrazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22IN3O4
InChI InChI=1S/C27H22IN3O4/c28-24-9-5-4-8-23(24)27(32)30-26(20-6-2-1-3-7-20)16-25(29(30)17-19-14-15-35-18-19)21-10-12-22(13-11-21)31(33)34/h1-15,18,25-26H,16-17H2/t25-,26-/m0/s1
InChIKey BKYFGNJTOMLKPI-UIOOFZCWSA-N
Molecular Weight 579.394 g/mol
SMILES [C@]1(N(N([C@@](C1)(c1ccccc1)[H])C(c1c(I)cccc1)=O)Cc1cocc1)(c1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-001i-9034000000-2dc7dae0170d47411fb4
Source of Spectrum F-59-4464-44b
Wiley ID 1678358