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VDXLAYAQGYCQEO-UHFFFAOYSA-N
SpectraBase Compound ID 4wTANIhO7mX
InChI InChI=1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey VDXLAYAQGYCQEO-UHFFFAOYSA-N
Mol Weight 140.61 g/mol
Molecular Formula C8H9Cl
Exact Mass 140.039278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3aWo4q6mHI
Name 2-Chloro-1,3-dimethylbenzene
CAS Registry Number 6781-98-2
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 140.039277990 u
Formula C8H9Cl
InChI InChI=1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey VDXLAYAQGYCQEO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 140.613 g/mol
Nominal Mass 140 u
Quality 827
Retention Index 975
SMILES C1(=C(C=CC=C1C)C)Cl
SPLASH splash10-0a4l-3900000000-a09a07e192029ec742a8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-chloro-1,3-dimethylbenzene
Technique GC/MS
Wiley ID DD2024_019241