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1,2-Thiaphosphole, 3-(4-chlorophenyl)-5-(1,1-dimethylethyl)-2,5-dihydro-2-(phenylmethoxy)-, 2-sulfide
SpectraBase Compound ID 21eMa4V6wXZ
InChI InChI=1S/C20H22ClOPS2/c1-20(2,3)19-13-18(16-9-11-17(21)12-10-16)23(24,25-19)22-14-15-7-5-4-6-8-15/h4-13,19H,14H2,1-3H3
InChIKey MDGCHOXRTKJPDY-UHFFFAOYSA-N
Mol Weight 408.94 g/mol
Molecular Formula C20H22ClOPS2
Exact Mass 408.053822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiEZVhP6mta
Name 1,2-Thiaphosphole, 3-(4-chlorophenyl)-5-(1,1-dimethylethyl)-2,5-dihydro-2-(phenylmethoxy)-, 2-sulfide
CAS Registry Number 105867-23-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClOPS2
InChI InChI=1S/C20H22ClOPS2/c1-20(2,3)19-13-18(16-9-11-17(21)12-10-16)23(24,25-19)22-14-15-7-5-4-6-8-15/h4-13,19H,14H2,1-3H3
InChIKey MDGCHOXRTKJPDY-UHFFFAOYSA-N
Molecular Weight 408.942 g/mol
SMILES C=1(P(SC(C1)C(C)(C)C)(=S)OCc1ccccc1)c1ccc(cc1)Cl
SPLASH splash10-01ox-9062100000-ee1920ed5d1e9899a357
Source of Spectrum AJ-59-63-5
Synonyms 2-(benzyloxy)-5-tert-butyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-thiaphosphole 2-sulfide 2-Benzyloxy-5-t-butyl-3-(p-chlorophenyl)-1,2-thiaphosphol-3-ene 2-sulfide
Wiley ID 1372827