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Halothane
SpectraBase Compound ID CqhJiIEjoFH
InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChIKey BCQZXOMGPXTTIC-UHFFFAOYSA-N
Mol Weight 197.38 g/mol
Molecular Formula C2HBrClF3
Exact Mass 195.890225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMbMp4NzqUX
Name Halothane
CAS Registry Number 151-67-7
Classification Anesthetic
Comments Original RI info: <1000*
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Exact Mass 195.890225221 u
Formula C2HBrClF3
InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChIKey BCQZXOMGPXTTIC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 197.382 g/mol
SMILES C(Cl)(C(F)(F)F)Br
SPLASH splash10-014j-5900000000-89261b88114bdcdb819c
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_2996