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1,4-Dimethylcyclohexa-1,3-diene
SpectraBase Compound ID EkKAicUC6Cg
InChI InChI=1S/C8H12/c1-7-3-5-8(2)6-4-7/h3,5H,4,6H2,1-2H3
InChIKey WTCPAFWUNFLPEW-UHFFFAOYSA-N
Mol Weight 108.18 g/mol
Molecular Formula C8H12
Exact Mass 108.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RAPr5DFhki
Name 1,4-dimethyl cyclohexa-1,3-diene
Carrier Gas Nitrogen
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 108.093900386 u
Formula C8H12
InChI InChI=1S/C8H12/c1-7-3-5-8(2)6-4-7/h3,5H,4,6H2,1-2H3
InChIKey WTCPAFWUNFLPEW-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI Psoitive ion
Literature Reference DOI 10.1002/anie.201710074
Molecular Weight 108.184 g/mol
Quality 1000
SMILES C=1(CCC(=CC1)C)C
SPLASH splash10-002f-9100000000-38cf2fb1de80bb602364
Source of Spectrum ACI-57-SM12-Figure S3-2 (DOI: 10.1002/anie.201710074)
Wiley ID 1891191