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1-cyclohexylheptane

View entire compound with spectra: 2 NMR, 1 FTIR, and 3 MS (GC)

1-cyclohexylheptane
SpectraBase Compound ID 7B9q9uVesJs
InChI InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3
InChIKey MSTLSCNJAHAQNU-UHFFFAOYSA-N
Mol Weight 182.35 g/mol
Molecular Formula C13H26
Exact Mass 182.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eejXqVCowG
Name n-Heptylcyclohexane
Alternate Name(s) 1-Cyclohexylheptane Cyclohexane, heptyl- Heptane, 1-cyclohexyl- n-Heptyl cyclohexane Cyclohexane, n-heptyl- Heptylcyclohexane
CAS Registry Number 5617-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26
InChI InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3
InChIKey MSTLSCNJAHAQNU-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c3ra45600e
Molecular Weight 182.351 g/mol
SMILES C1C(CCCCCCC)CCCC1
SPLASH splash10-001i-9100000000-e8fc30893e1dad53f7f3
Source of Spectrum RSA-4-2729/SM-Table3,entry2
Wiley ID 1747838