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Isazophos
SpectraBase Compound ID 3Ry7iTFzVPr
InChI InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3
InChIKey XRHGWAGWAHHFLF-UHFFFAOYSA-N
Mol Weight 313.74 g/mol
Molecular Formula C9H17ClN3O3PS
Exact Mass 313.041677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkpYJMThyu0
Name Isazophos
Source of Sample Sigma-Aldrich Cat. #36133
CAS Registry Number 42509-80-8
Classification Pesticides: Nematicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 313.041677288 u
Formula C9H17ClN3O3PS
InChI InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3
InChIKey XRHGWAGWAHHFLF-UHFFFAOYSA-N
Molecular Weight 313.740 g/mol
Number of Peaks 49
RI1 1810
SMILES c1(nc([n](C(C)C)n1)Cl)OP(OCC)(OCC)=S
SPLASH splash10-03di-3920000000-25f233281b077a93f6b3
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Phosphorothioic acid, O-[5-chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl] O,O-diethyl ester
Wiley ID LM_PEST_449