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3-Ethyltoluene
SpectraBase Compound ID AP5ejaU7wq7
InChI InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey ZLCSFXXPPANWQY-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 JHOgukHqH0C
Name 1-Ethyl-3-methylbenzene
CAS Registry Number 620-14-4
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 120.093900386 u
Formula C9H12
InChI InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey ZLCSFXXPPANWQY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 120.195 g/mol
Nominal Mass 120 u
Quality 963
Retention Index 885
SMILES C1(=CC(=CC=C1)C)CC
SPLASH splash10-0a4i-4900000000-ec65d48904dc9077708f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Ethyltoluene Toluene,m-ethyl- m-Ethylmethylbenzene
Technique GC/MS
Wiley ID DD2024_009728