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Crotamiton-M (HO-thio-)
SpectraBase Compound ID FMSLBbjUMLD
InChI InChI=1S/C13H19NO2S/c1-3-14(13(16)8-11(17)9-15)12-7-5-4-6-10(12)2/h4-7,11,15,17H,3,8-9H2,1-2H3
InChIKey HJMYSKSRGZURQX-UHFFFAOYSA-N
Mol Weight 253.36 g/mol
Molecular Formula C13H19NO2S
Exact Mass 253.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HEKlwNkHxw
Name Crotamiton-M (HO-thio-)
Classification Scabicide
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Exact Mass 253.113650028 u
Formula C13H19NO2S
InChI InChI=1S/C13H19NO2S/c1-3-14(13(16)8-11(17)9-15)12-7-5-4-6-10(12)2/h4-7,11,15,17H,3,8-9H2,1-2H3
InChIKey HJMYSKSRGZURQX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 253.360 g/mol
SMILES C(N(c1c(C)cccc1)CC)(CC(S)CO)=O
SPLASH splash10-0759-2910000000-8c8f3fb130c8d27fb742
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: UGLUC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5367