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DNTGGZPQPQTDQF-XBXARRHUSA-N
SpectraBase Compound ID 3r5v7f7fI59
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-XBXARRHUSA-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 13OvhNgqDA
Name Crotamiton (trans)
CAS Registry Number 483-63-6
Classification Scabicide
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
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-XBXARRHUSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 203.285 g/mol
SMILES C(N(CC)c1c(C)cccc1)(\C=C\C)=O
SPLASH splash10-014i-9400000000-1901f8fc7382d901b002
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_695