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Crotamiton-M (HOOC-dihydro-)
SpectraBase Compound ID LYc0UqRNaO3
InChI InChI=1S/C13H17NO3/c1-3-14(12(15)8-9-13(16)17)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKey MDILNERQQGJCLM-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nRVpQVj8NM
Name Crotamiton-M (HOOC-dihydro-)
Classification Scabicide
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Exact Mass 235.120843408 u
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-14(12(15)8-9-13(16)17)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKey MDILNERQQGJCLM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 235.283 g/mol
SMILES c1ccc(N(C(=O)CCC(=O)O)CC)c(C)c1
SPLASH splash10-0016-3910000000-9ea0297260fb0b9a8256
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_5364