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S-2-(3,3-dichloro-2-(4-methoxyphenyl)-4-oxo-2-styrylazetidin-1-yl)phenyl 2,2-dichloroethanethioate
SpectraBase Compound ID IYCbka6Lulg
InChI InChI=1S/C26H19Cl4NO3S/c1-34-19-13-11-18(12-14-19)25(16-15-17-7-3-2-4-8-17)26(29,30)24(33)31(25)20-9-5-6-10-21(20)35-23(32)22(27)28/h2-16,22H,1H3
InChIKey HJVBFDFWYOVQGH-UHFFFAOYSA-N
Mol Weight 567.3 g/mol
Molecular Formula C26H19Cl4NO3S
Exact Mass 564.983975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ouFm36Si4S
Name S-2-(3,3-dichloro-2-(4-methoxyphenyl)-4-oxo-2-styrylazetidin-1-yl)phenyl 2,2-dichloroethanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19Cl4NO3S
InChI InChI=1S/C26H19Cl4NO3S/c1-34-19-13-11-18(12-14-19)25(16-15-17-7-3-2-4-8-17)26(29,30)24(33)31(25)20-9-5-6-10-21(20)35-23(32)22(27)28/h2-16,22H,1H3
InChIKey HJVBFDFWYOVQGH-UHFFFAOYSA-N
Instrument Name MASPEC II-Micromass ZAB-HS
Ionization Type EI
Literature Reference DOI 10.1002/rcm.358
Molecular Weight 567.314 g/mol
SMILES c1cc(c(cc1)N1C(C(C1(c1ccc(cc1)OC)C=Cc1ccccc1)(Cl)Cl)=O)SC(=O)C(Cl)Cl
SPLASH splash10-0udi-0009000000-6f6c8c267f56dc7b9daf
Source of Spectrum RCM-15-1161-3
Wiley ID 1836286