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cis/trans-3-[3'-(Trifluoromethyl)phenyl]-2-(3'-thienyl)methyl-1-(2'-iodobenzoyl)-5-phenylpyrazolidine
SpectraBase Compound ID Jx5mcGEGA0D
InChI InChI=1S/C28H22F3IN2OS/c29-28(30,31)22-10-6-9-21(15-22)25-16-26(20-7-2-1-3-8-20)34(33(25)17-19-13-14-36-18-19)27(35)23-11-4-5-12-24(23)32/h1-15,18,25-26H,16-17H2
InChIKey FFDGCZITCIRYDC-UHFFFAOYSA-N
Mol Weight 618.46 g/mol
Molecular Formula C28H22F3IN2OS
Exact Mass 618.044964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aje28g65gTx
Name cis/trans-3-[3'-(Trifluoromethyl)phenyl]-2-(3'-thienyl)methyl-1-(2'-iodobenzoyl)-5-phenylpyrazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22F3IN2OS
InChI InChI=1S/C28H22F3IN2OS/c29-28(30,31)22-10-6-9-21(15-22)25-16-26(20-7-2-1-3-8-20)34(33(25)17-19-13-14-36-18-19)27(35)23-11-4-5-12-24(23)32/h1-15,18,25-26H,16-17H2
InChIKey FFDGCZITCIRYDC-UHFFFAOYSA-N
Molecular Weight 618.457 g/mol
SMILES C1(N(N(C(C1)c1ccccc1)C(c1c(I)cccc1)=O)Cc1cscc1)c1cc(C(F)(F)F)ccc1
SPLASH splash10-000b-9034000000-0a8e58dc7a8102c25743
Source of Spectrum F-59-4465-48
Wiley ID 1712282