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(5E,9E)-16-[(4-Methoxyphenyl)sulfanyl]-7,8-dihydro-16lambda5-dibenzo[d,l][1,3,7,10,2]dioxadiazaphosphacyclotridecin-16-one
SpectraBase Compound ID D7C4CE8XL0o
InChI InChI=1S/C23H21N2O4PS/c1-27-20-10-12-21(13-11-20)31-30(26)28-22-8-4-2-6-18(22)16-24-14-15-25-17-19-7-3-5-9-23(19)29-30/h2-13,16-17H,14-15H2,1H3/b24-16+,25-17+
InChIKey BENNLUTTWYVGPJ-MUPYBJATSA-N
Mol Weight 452.46 g/mol
Molecular Formula C23H21N2O4PS
Exact Mass 452.095965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BED8EVvRRQB
Name (5E,9E)-16-[(4-Methoxyphenyl)sulfanyl]-7,8-dihydro-16lambda5-dibenzo[d,l][1,3,7,10,2]dioxadiazaphosphacyclotridecin-16-one
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Formula C23H21N2O4PS
InChI InChI=1S/C23H21N2O4PS/c1-27-20-10-12-21(13-11-20)31-30(26)28-22-8-4-2-6-18(22)16-24-14-15-25-17-19-7-3-5-9-23(19)29-30/h2-13,16-17H,14-15H2,1H3/b24-16+,25-17+
InChIKey BENNLUTTWYVGPJ-MUPYBJATSA-N
Literature Reference DOI 10.1002/ardp.201100204
Molecular Weight 452.465 g/mol
SMILES c1cc2c(cc1)OP(Oc1c(cccc1)\C=N\CC\N=C\2)(=O)Sc1ccc(cc1)OC
SPLASH splash10-0w29-1096200000-4ce9d70efd85066e76ca
Source of Spectrum APC-345-500-6g
Synonyms (5E,9E)-16-((4-methoxyphenyl)thio)-7,8-dihydrodibenzo[d,l][1,3,7,10,2]dioxadiazaphosphacyclotridecine 16-oxide
Wiley ID 1769391