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3-Nitro-pentane
SpectraBase Compound ID H2ORDNw4m81
InChI InChI=1S/C5H11NO2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3
InChIKey RXPKOTQRDGEKFY-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C5H11NO2
Exact Mass 117.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeRPNH7fEiX
Name 3-Nitro-pentane
CAS Registry Number 551-88-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H11NO2
InChI InChI=1S/C5H11NO2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3
InChIKey RXPKOTQRDGEKFY-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference W.F. Bailey, E.A. Cioffi, Magn. Res. Chem. 25, 181 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3