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cis-3-[4'-(Dimethylamino)phenyl]-2-(3'-furyl)methyl-1-(2'-iodobenzoyl)-5-phenylpyrazolidine
SpectraBase Compound ID AgkvSDUGbfu
InChI InChI=1S/C29H28IN3O2/c1-31(2)24-14-12-23(13-15-24)27-18-28(22-8-4-3-5-9-22)33(32(27)19-21-16-17-35-20-21)29(34)25-10-6-7-11-26(25)30/h3-17,20,27-28H,18-19H2,1-2H3/t27-,28+/m0/s1
InChIKey PXIBEIHFYVBVDU-WUFINQPMSA-N
Mol Weight 577.47 g/mol
Molecular Formula C29H28IN3O2
Exact Mass 577.122622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArLsdymI69c
Name cis-3-[4'-(Dimethylamino)phenyl]-2-(3'-furyl)methyl-1-(2'-iodobenzoyl)-5-phenylpyrazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28IN3O2
InChI InChI=1S/C29H28IN3O2/c1-31(2)24-14-12-23(13-15-24)27-18-28(22-8-4-3-5-9-22)33(32(27)19-21-16-17-35-20-21)29(34)25-10-6-7-11-26(25)30/h3-17,20,27-28H,18-19H2,1-2H3/t27-,28+/m0/s1
InChIKey PXIBEIHFYVBVDU-WUFINQPMSA-N
Molecular Weight 577.466 g/mol
SMILES [C@]1(N(N([C@](C1)(c1ccccc1)[H])C(c1c(I)cccc1)=O)Cc1cocc1)(c1ccc(cc1)N(C)C)[H]
SPLASH splash10-001i-8393000000-b8332b8cc6018ad5da31
Source of Spectrum F-59-4464-47a
Wiley ID 1678353