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Crotamiton-M (HO-ethyl-) (trans)
SpectraBase Compound ID FdFglZ5Ppq6
InChI InChI=1S/C13H17NO2/c1-3-6-13(16)14(9-10-15)12-8-5-4-7-11(12)2/h3-8,15H,9-10H2,1-2H3/b6-3+
InChIKey ZLRIPWCUNXOJGP-ZZXKWVIFSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Gmnz32xt2
Name Crotamiton-M (HO-ethyl-) (trans)
Classification Scabicide
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Exact Mass 219.125928789 u
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-3-6-13(16)14(9-10-15)12-8-5-4-7-11(12)2/h3-8,15H,9-10H2,1-2H3/b6-3+
InChIKey ZLRIPWCUNXOJGP-ZZXKWVIFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 219.284 g/mol
SMILES c1ccc(N(C(\C=C\C)=O)CCO)c(C)c1
SPLASH splash10-014i-8900000000-a9203d9065f93dbd4969
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: P U 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_5353