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Crotamiton-M (HOOC-thio-)
SpectraBase Compound ID 5eWq3DS8E5L
InChI InChI=1S/C13H17NO3S/c1-3-14(10-7-5-4-6-9(10)2)12(15)8-11(18)13(16)17/h4-7,11,18H,3,8H2,1-2H3,(H,16,17)
InChIKey ZRSBVLGSBMASPT-UHFFFAOYSA-N
Mol Weight 267.34 g/mol
Molecular Formula C13H17NO3S
Exact Mass 267.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfuXtFuITuh
Name Crotamiton-M (HOOC-thio-)
Classification Scabicide
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Exact Mass 267.092914582 u
Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c1-3-14(10-7-5-4-6-9(10)2)12(15)8-11(18)13(16)17/h4-7,11,18H,3,8H2,1-2H3,(H,16,17)
InChIKey ZRSBVLGSBMASPT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 267.343 g/mol
SMILES C(N(c1c(C)cccc1)CC)(CC(C(=O)O)S)=O
SPLASH splash10-0jb9-3950000000-3b81240da6bf45947bf6
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_5375