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1,3,5-Trimethylbenzene
SpectraBase Compound ID 4gtX8TD2JyX
InChI InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
InChIKey AUHZEENZYGFFBQ-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 GWdqHTMzBeJ
Name 1,3,5-trimethylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 120.093900386 u
Formula C9H12
GC Column HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer)
InChI InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
InChIKey AUHZEENZYGFFBQ-UHFFFAOYSA-N
Instrument Name Agilent GC 6890-Agilent MSD 5975
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201388
Molecular Weight 120.195 g/mol
Quality 796
SMILES C1=C(C=C(C=C1C)C)C
SPLASH splash10-0ab9-3900000000-0a9b1f3e48f4221a2662
Source of Spectrum CCC-15-SM22-1,3,5-trimethylbenzene (DOI: 10.1002/cctc.202201388)
Wiley ID 1910095