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trans-3,5-Diphenyl-1-(2'-iodobenzoyl)-2-(3'-thienyl)methylpyrazolidine
SpectraBase Compound ID JPRtSiOfCAv
InChI InChI=1S/C27H23IN2OS/c28-24-14-8-7-13-23(24)27(31)30-26(22-11-5-2-6-12-22)17-25(21-9-3-1-4-10-21)29(30)18-20-15-16-32-19-20/h1-16,19,25-26H,17-18H2/t25-,26-/m1/s1
InChIKey WHAJOYPZFYBVBJ-CLJLJLNGSA-N
Mol Weight 550.46 g/mol
Molecular Formula C27H23IN2OS
Exact Mass 550.05758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnCaV2viwJB
Name trans-3,5-Diphenyl-1-(2'-iodobenzoyl)-2-(3'-thienyl)methylpyrazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23IN2OS
InChI InChI=1S/C27H23IN2OS/c28-24-14-8-7-13-23(24)27(31)30-26(22-11-5-2-6-12-22)17-25(21-9-3-1-4-10-21)29(30)18-20-15-16-32-19-20/h1-16,19,25-26H,17-18H2/t25-,26-/m1/s1
InChIKey WHAJOYPZFYBVBJ-CLJLJLNGSA-N
Molecular Weight 550.458 g/mol
SMILES [C@@]1(N(N([C@](C1)(c1ccccc1)[H])C(c1c(I)cccc1)=O)Cc1cscc1)(c1ccccc1)[H]
SPLASH splash10-00kb-9035000000-c27ef12cca5c9c7eee99
Source of Spectrum F-59-4463-41b
Wiley ID 1678364