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trans-3-(2'-Fluorophenyl)-2-(3'-furyl)methyl-1-(2'-iodobenzoyl)-5-phenylpyrazolidine
SpectraBase Compound ID Hawrtsj6rUs
InChI InChI=1S/C27H22FIN2O2/c28-23-12-6-4-10-21(23)26-16-25(20-8-2-1-3-9-20)31(30(26)17-19-14-15-33-18-19)27(32)22-11-5-7-13-24(22)29/h1-15,18,25-26H,16-17H2/t25-,26-/m0/s1
InChIKey ZMIGJUXKQSEPKU-UIOOFZCWSA-N
Mol Weight 552.39 g/mol
Molecular Formula C27H22FIN2O2
Exact Mass 552.071001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fgh6FsRlAgy
Name trans-3-(2'-Fluorophenyl)-2-(3'-furyl)methyl-1-(2'-iodobenzoyl)-5-phenylpyrazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22FIN2O2
InChI InChI=1S/C27H22FIN2O2/c28-23-12-6-4-10-21(23)26-16-25(20-8-2-1-3-9-20)31(30(26)17-19-14-15-33-18-19)27(32)22-11-5-7-13-24(22)29/h1-15,18,25-26H,16-17H2/t25-,26-/m0/s1
InChIKey ZMIGJUXKQSEPKU-UIOOFZCWSA-N
Molecular Weight 552.388 g/mol
SMILES [C@]1(N(N([C@@](C1)(c1ccccc1)[H])C(c1c(I)cccc1)=O)Cc1cocc1)(c1c(F)cccc1)[H]
SPLASH splash10-0089-9035000000-3b1caf1c1b519cf53327
Source of Spectrum F-59-4464-45b
Wiley ID 1678356