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Pentanochlor
SpectraBase Compound ID 8cb7Tdt6i5i
InChI InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKey WGVWLKXZBUVUAM-UHFFFAOYSA-N
Mol Weight 239.75 g/mol
Molecular Formula C13H18ClNO
Exact Mass 239.107692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xRTh42OfY
Name Pentanochlor
CAS Registry Number 2307-68-8
Classification Herbicide
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Exact Mass 239.107691903 u
Formula C13H18ClNO
InChI InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKey WGVWLKXZBUVUAM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 239.746 g/mol
SMILES C(Nc1cc(c(C)cc1)Cl)(=O)C(CCC)C
SPLASH splash10-0006-5900000000-5c02c569315ba8688e37
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.
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_4037