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Octane

View entire compound with spectra: 53 NMR, 12 FTIR, 1 Raman, 36 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 KK2p2PJIPPc
Name Octane
CAS Registry Number 111-65-9
Comments SPECTRA REPORTED AT DIFFERENT TEMPERATURES
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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
Instrument Name Varian XL-100
Literature Reference H.N. Cheng, F.A. Bovey, Org. Magn. Resonance 11, 457 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H2Cl4