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Crotamiton-M (HO-methylthio-) AC
SpectraBase Compound ID Him8LQKfo4b
InChI InChI=1S/C16H23NO3S/c1-5-17(15-9-7-6-8-12(15)2)16(19)10-14(21-4)11-20-13(3)18/h6-9,14H,5,10-11H2,1-4H3
InChIKey RPEVOTSXNYXNAE-UHFFFAOYSA-N
Mol Weight 309.42 g/mol
Molecular Formula C16H23NO3S
Exact Mass 309.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HA6694UVNm
Name Crotamiton-M (HO-methylthio-) AC
Classification Scabicide
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Exact Mass 309.139864776 u
Formula C16H23NO3S
InChI InChI=1S/C16H23NO3S/c1-5-17(15-9-7-6-8-12(15)2)16(19)10-14(21-4)11-20-13(3)18/h6-9,14H,5,10-11H2,1-4H3
InChIKey RPEVOTSXNYXNAE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 309.424 g/mol
SMILES C(N(c1c(C)cccc1)CC)(CC(SC)COC(=O)C)=O
SPLASH splash10-03dl-3940000000-28af222b3fabb8c7a582
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: UGLUCAC
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_5352