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Crotamiton-M (HO-crotyl-) (tr.) AC
SpectraBase Compound ID 3gpV6teMDJX
InChI InChI=1S/C15H19NO3/c1-4-16(14-9-6-5-8-12(14)2)15(18)10-7-11-19-13(3)17/h5-10H,4,11H2,1-3H3/b10-7+
InChIKey GKEYXOGXBGDCEN-JXMROGBWSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID X3n6MFIl0u
Name Crotamiton-M (HO-crotyl-) (tr.) AC
Classification Scabicide
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Exact Mass 261.136493473 u
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-4-16(14-9-6-5-8-12(14)2)15(18)10-7-11-19-13(3)17/h5-10H,4,11H2,1-3H3/b10-7+
InChIKey GKEYXOGXBGDCEN-JXMROGBWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 261.321 g/mol
SMILES c1ccc(N(C(\C=C\COC(=O)C)=O)CC)c(C)c1
SPLASH splash10-0gbi-3940000000-1cb28e4b9b0af8410e51
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
Synonyms Crotamiton-M (4-HO-crotyl-) (trans) AC
Technique GC/MS
Wiley ID MMPW6e_5358