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Crotamiton-M ME
SpectraBase Compound ID I5fw9Kq1UNl
InChI InChI=1S/C15H21NO3S/c1-5-16(12-9-7-6-8-11(12)2)14(17)10-13(20-4)15(18)19-3/h6-9,13H,5,10H2,1-4H3
InChIKey SFYMONIIIGDFFW-UHFFFAOYSA-N
Mol Weight 295.4 g/mol
Molecular Formula C15H21NO3S
Exact Mass 295.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Rb8c137zXK
Name Crotamiton-M ME
Classification Scabicide
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Exact Mass 295.124214711 u
Formula C15H21NO3S
InChI InChI=1S/C15H21NO3S/c1-5-16(12-9-7-6-8-11(12)2)14(17)10-13(20-4)15(18)19-3/h6-9,13H,5,10H2,1-4H3
InChIKey SFYMONIIIGDFFW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 295.397 g/mol
SMILES C(N(c1c(C)cccc1)CC)(CC(C(=O)OC)SC)=O
SPLASH splash10-01qa-3930000000-ad1b45aa4a2dca9d3492
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UGLUCME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Crotamiton-M (HOOC-methyl-thio-) ME
Technique GC/MS
Wiley ID MMPW6e_5376