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(5E,9E)-16-(Phenylsulfanyl)-7,8-dihydro-16lambda5-dibenzo-[d,l][1,3,7,10,2]dioxadiazaphosphacyclotridecin-16-one
SpectraBase Compound ID 90DAm7Ux4cg
InChI InChI=1S/C22H19N2O3PS/c25-28(29-20-10-2-1-3-11-20)26-21-12-6-4-8-18(21)16-23-14-15-24-17-19-9-5-7-13-22(19)27-28/h1-13,16-17H,14-15H2/b23-16+,24-17+
InChIKey BVWGWWAWYUDISN-WPHIWBHXSA-N
Mol Weight 422.44 g/mol
Molecular Formula C22H19N2O3PS
Exact Mass 422.085401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzieO3HngzB
Name (5E,9E)-16-(Phenylsulfanyl)-7,8-dihydro-16lambda5-dibenzo-[d,l][1,3,7,10,2]dioxadiazaphosphacyclotridecin-16-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N2O3PS
InChI InChI=1S/C22H19N2O3PS/c25-28(29-20-10-2-1-3-11-20)26-21-12-6-4-8-18(21)16-23-14-15-24-17-19-9-5-7-13-22(19)27-28/h1-13,16-17H,14-15H2/b23-16+,24-17+
InChIKey BVWGWWAWYUDISN-WPHIWBHXSA-N
Literature Reference DOI 10.1002/ardp.201100204
Molecular Weight 422.439 g/mol
SMILES c1cc2\C=N\CC\N=C\c3ccccc3OP(Oc2cc1)(=O)Sc1ccccc1
SPLASH splash10-0udi-1093300000-fea9aad9c0c2fc6d3e1f
Source of Spectrum APC-345-500-6f
Synonyms (5E,9E)-16-(phenylthio)-7,8-dihydrodibenzo[d,l][1,3,7,10,2]dioxadiazaphosphacyclotridecine 16-oxide
Wiley ID 1769390