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Phenthoate
SpectraBase Compound ID DAWTtwI3IRm
InChI InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
InChIKey XAMUDJHXFNRLCY-UHFFFAOYSA-N
Mol Weight 320.36 g/mol
Molecular Formula C12H17O4PS2
Exact Mass 320.030588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UvAatoedwz
Name Phenthoate
Carrier Gas Helium (20 psi)
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Exact Mass 320.030588369 u
Formula C12H17O4PS2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
InChIKey XAMUDJHXFNRLCY-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973N
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200500250
Molecular Weight 320.358 g/mol
Quality 48
SMILES C(C)OC(C(C1=CC=CC=C1)SP(=S)(OC)OC)=O
SPLASH splash10-00di-3970000000-1146ef9f0a94f1bbafb4
Source of Spectrum SEP-29-2334-Phenthoate (DOI: 10.1002/jssc.200500250)
Wiley ID 1906167