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S-(2-[Formyl(methyl)amino]-2-oxoethyl) O,O-dimethyl dithiophosphate
SpectraBase Compound ID 1Gzrjg6crJQ
InChI InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3
InChIKey AIKKULXCBHRFOS-UHFFFAOYSA-N
Mol Weight 257.26 g/mol
Molecular Formula C6H12NO4PS2
Exact Mass 256.994537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RwKrVTRFxz
Name FORMOTHIONE
CAS Registry Number 2540-82-1
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 256.994537212 u
Formula C6H12NO4PS2
InChI InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3
InChIKey AIKKULXCBHRFOS-UHFFFAOYSA-N
Molecular Weight 257.259 g/mol
Nominal Mass 257 u
Number of Peaks 82
SMILES C(SP(OC)(OC)=S)C(N(C=O)C)=O
SPLASH splash10-004l-9600000000-d97175b9909e0d2b3400
Source of Spectrum Dr. Rolf Kuehnle
Synonyms S-{2-[formyl(methyl)amino]-2-oxoethyl} O,O-dimethyl dithiophosphate
Technique GC/MS
Wiley ID WID_MSPA_3855