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2,2,4-Trimethylpentane

View entire compound with spectra: 111 NMR, 10 FTIR, 1 Raman, 14 MS (GC), and 2 Near IR

2,2,4-Trimethylpentane
SpectraBase Compound ID 1nnSz84mTdd
InChI InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChIKey NHTMVDHEPJAVLT-UHFFFAOYSA-N
Mol Weight 114.23 g/mol
Molecular Formula C8H18
Exact Mass 114.140851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rPuKNYVzDs
Name 2,2,4-TRIMETHYLPENTANE
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Boiling Point 98-99C
Comments Doping agent added
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18
InChI InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChIKey NHTMVDHEPJAVLT-UHFFFAOYSA-N
Melting Point -107C
Molecular Weight 114.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PENTANE, 2,2,4-TRIMETHYL-, ISOOCTANE