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Crotamiton-M (HOOC-)
SpectraBase Compound ID 50frUM38XUi
InChI InChI=1S/C13H15NO3/c1-3-14(12(15)8-9-13(16)17)11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,16,17)/b9-8+
InChIKey DICSSQAPXZJSNY-CMDGGOBGSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdQRDYHlIJs
Name Crotamiton-M (HOOC-)
Classification Scabicide
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Exact Mass 233.105193344 u
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-3-14(12(15)8-9-13(16)17)11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,16,17)/b9-8+
InChIKey DICSSQAPXZJSNY-CMDGGOBGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 233.267 g/mol
SMILES C(N(CC)c1c(C)cccc1)(\C=C\C(=O)O)=O
SPLASH splash10-00ym-8900000000-1517f7de3125b0389b5e
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: U
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_697