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Phosalone
SpectraBase Compound ID T8iR7eqTWC
InChI InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
InChIKey IOUNQDKNJZEDEP-UHFFFAOYSA-N
Mol Weight 367.8 g/mol
Molecular Formula C12H15ClNO4PS2
Exact Mass 366.986865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGmrX43PIP2
Name Phosalone
CAS Registry Number 2310-17-0
Classification Acaricide, insecticide
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 366.986865009 u
Formula C12H15ClNO4PS2
InChI InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
InChIKey IOUNQDKNJZEDEP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 367.802 g/mol
Nominal Mass 367 u
Quality 978
Retention Index 2536
SMILES C=12C(OC(N2CSP(OCC)(OCC)=S)=O)=CC(=CC1)Cl
SPLASH splash10-001i-2900000000-e52d05213e24a331df53
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 6-Chloro-3-(diethoxyphosphinothioylsulfanylmethyl)benzooxazol-2-one
Technique GC/MS
Wiley ID DD2024_003630