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cis/trans-3-[3'-Methoxyphenyl]-2-(3'-thienl)methyl-1-(2'-iodobenzoyl)-5-phenylpyrazolidine
SpectraBase Compound ID JiAxTHQlG9E
InChI InChI=1S/C28H25IN2O2S/c1-33-23-11-7-10-22(16-23)26-17-27(21-8-3-2-4-9-21)31(30(26)18-20-14-15-34-19-20)28(32)24-12-5-6-13-25(24)29/h2-16,19,26-27H,17-18H2,1H3
InChIKey NWAFSJVTOPPXHB-UHFFFAOYSA-N
Mol Weight 580.48 g/mol
Molecular Formula C28H25IN2O2S
Exact Mass 580.068144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdMSgp2dkTB
Name cis/trans-3-[3'-Methoxyphenyl]-2-(3'-thienl)methyl-1-(2'-iodobenzoyl)-5-phenylpyrazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25IN2O2S
InChI InChI=1S/C28H25IN2O2S/c1-33-23-11-7-10-22(16-23)26-17-27(21-8-3-2-4-9-21)31(30(26)18-20-14-15-34-19-20)28(32)24-12-5-6-13-25(24)29/h2-16,19,26-27H,17-18H2,1H3
InChIKey NWAFSJVTOPPXHB-UHFFFAOYSA-N
Molecular Weight 580.484 g/mol
SMILES C1(N(N(C(C1)c1ccccc1)C(c1c(I)cccc1)=O)Cc1cscc1)c1cc(OC)ccc1
SPLASH splash10-0002-9045000000-f92d4a5cd856263cad08
Source of Spectrum F-59-4465-50
Wiley ID 1678350