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Octane

View entire compound with spectra: 53 NMR, 12 FTIR, 33 MS (GC), and 2 Near IR

Octane
SpectraBase Compound ID ANvsjtBzBwG
InChI InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey TVMXDCGIABBOFY-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 BTiR8KVVdAO
Name OCTANE
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Boiling Point 124-126C
CAS Registry Number 111-65-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18
InChI InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey TVMXDCGIABBOFY-UHFFFAOYSA-N
Melting Point -57C
Molecular Weight 114.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Web Link http://www.cdc.gov/niosh/npg/npgd0470.html