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4-Ethyltoluene
SpectraBase Compound ID I3F5cS4i1Ku
InChI InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey JRLPEMVDPFPYPJ-UHFFFAOYSA-N
Mol Weight 120.19 g/mol
Molecular Formula C9H12
Exact Mass 120.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Byg3yqtuPcL
Name 1-Ethyl-4-methylbenzene
CAS Registry Number 622-96-8
Classification Solvent
Comments Original RI info: <1000*
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Exact Mass 120.093900386 u
Formula C9H12
InChI InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey JRLPEMVDPFPYPJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 120.195 g/mol
SMILES c1c(ccc(c1)C)CC
SPLASH splash10-0a4i-6900000000-b817755e843c645fa884
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_3827