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cis-Crotamiton
SpectraBase Compound ID 6tORfrDUHCW
InChI InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4-
InChIKey DNTGGZPQPQTDQF-YWEYNIOJSA-N
Mol Weight 203.28 g/mol
Molecular Formula C13H17NO
Exact Mass 203.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6d7qnYSGSXA
Name Crotamiton (cis)
Classification Scabicide
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Exact Mass 203.131014170 u
Formula C13H17NO
InChI InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4-
InChIKey DNTGGZPQPQTDQF-YWEYNIOJSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 203.285 g/mol
Related CAS Registry Number(s) 483-63-6
SMILES c1ccc(N(C(\C=C/C)=O)CC)c(C)c1
SPLASH splash10-014i-9500000000-e5610b9ce712a11dfea8
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 G 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_5347