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cis-1,3-Dimethylcyclohexane
SpectraBase Compound ID 4ZGQo5nFDH3
InChI InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKey SGVUHPSBDNVHKL-OCAPTIKFSA-N
Mol Weight 112.22 g/mol
Molecular Formula C8H16
Exact Mass 112.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GpjzeHp0aG
Name 1,3-Dimethyl-cis-cyclohexane
CAS Registry Number 638-04-0
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 112.125200515 u
Formula C8H16
InChI InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKey SGVUHPSBDNVHKL-OCAPTIKFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 112.216 g/mol
Nominal Mass 112 u
Quality 997
Retention Index 813
SMILES C1[C@@](CCC[C@@]1(C)[H])(C)[H]
SPLASH splash10-0a4j-9000000000-95f91fd5ee50f0a44700
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (1R,3S)-1,3-dimethylcyclohexane
Technique GC/MS
Wiley ID DD2024_007630