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1,3,7,9,11-pentachloro-11-thioxo-5H-benzo[d][1,3,2]benzodioxaphosphocine
SpectraBase Compound ID 2nswwYM2iNf
InChI InChI=1S/C13H6Cl5O2PS/c14-8-2-6-1-7-3-9(15)5-11(17)13(7)20-21(18,22)19-12(6)10(16)4-8/h2-5H,1H2
InChIKey VBEGYDTUGWAFQX-UHFFFAOYSA-N
Mol Weight 434.5 g/mol
Molecular Formula C13H6Cl5O2PS
Exact Mass 431.826876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2WYMx4ghyu
Name 1,3,7,9,11-pentachloro-11-thioxo-5H-benzo[d][1,3,2]benzodioxaphosphocine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H6Cl5O2PS
InChI InChI=1S/C13H6Cl5O2PS/c14-8-2-6-1-7-3-9(15)5-11(17)13(7)20-21(18,22)19-12(6)10(16)4-8/h2-5H,1H2
InChIKey VBEGYDTUGWAFQX-UHFFFAOYSA-N
Instrument Name Finnigan Mat 4510
Ionization Type EI
Literature Reference DOI 10.1002_1097-0231(20000730)14_14_1309
Molecular Weight 434.488 g/mol
SMILES c12OP(Cl)(=S)Oc3c(Cl)cc(Cl)cc3Cc1cc(Cl)cc2Cl
SPLASH splash10-0019-0009200000-3da4364564cba5da33d5
Source of Spectrum RCM-14-1310-Cpd B
Wiley ID 1839106