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Toluene
SpectraBase Compound ID BuMrYXxCSAr
InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey YXFVVABEGXRONW-UHFFFAOYSA-N
Mol Weight 92.14 g/mol
Molecular Formula C7H8
Exact Mass 92.0626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JF2dBW3pD84
Name Toluene
CAS Registry Number 108-88-3
Classification Solvent
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 92.062600258 u
Formula C7H8
InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey YXFVVABEGXRONW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 92.141 g/mol
Nominal Mass 92 u
Quality 978
Retention Index 780
SMILES C1(=CC=CC=C1)C
SPLASH splash10-0006-9000000000-6b1b25f83d1632afc356
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methylbenzene
Technique GC/MS
Wiley ID DD2024_011580