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1,3,7,9-tetrachloro-11-propoxy-11-thioxo-5H-benzo[d][1,3,2]benzodioxaphosphocine
SpectraBase Compound ID KNZ5eooVxoB
InChI InChI=1S/C16H13Cl4O3PS/c1-2-3-21-24(25)22-15-9(5-11(17)7-13(15)19)4-10-6-12(18)8-14(20)16(10)23-24/h5-8H,2-4H2,1H3
InChIKey ZGYUBPCCWXPUAQ-UHFFFAOYSA-N
Mol Weight 458.1 g/mol
Molecular Formula C16H13Cl4O3PS
Exact Mass 455.907713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cw7Vt8TtjTG
Name 1,3,7,9-tetrachloro-11-propoxy-11-thioxo-5H-benzo[d][1,3,2]benzodioxaphosphocine
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Formula C16H13Cl4O3PS
InChI InChI=1S/C16H13Cl4O3PS/c1-2-3-21-24(25)22-15-9(5-11(17)7-13(15)19)4-10-6-12(18)8-14(20)16(10)23-24/h5-8H,2-4H2,1H3
InChIKey ZGYUBPCCWXPUAQ-UHFFFAOYSA-N
Instrument Name Finnigan Mat 4510
Ionization Type EI
Literature Reference DOI 10.1002_1097-0231(20000730)14_14_1309
Molecular Weight 458.123 g/mol
SMILES c1(Cl)cc(Cl)cc2Cc3cc(Cl)cc(Cl)c3OP(OCCC)(=S)Oc12
SPLASH splash10-0019-4009200000-a92ca5efd2f1a5a49142
Source of Spectrum RCM-14-1310-Cpd D
Wiley ID 1839108