For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,4-Dimethyl-5-nitro-heptan-2-one
SpectraBase Compound ID LI9ktdlcH5L
InChI InChI=1S/C9H17NO3/c1-5-8(10(12)13)9(3,4)6-7(2)11/h8H,5-6H2,1-4H3
InChIKey YUJASSKEWUXROS-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C9H17NO3
Exact Mass 187.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2Ge8gOwDv6F
Name 4,4-Dimethyl-5-nitro-heptan-2-one
CAS Registry Number 35417-24-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H17NO3
InChI InChI=1S/C9H17NO3/c1-5-8(10(12)13)9(3,4)6-7(2)11/h8H,5-6H2,1-4H3
InChIKey YUJASSKEWUXROS-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference K-H. Lui, M.P. Sammes, J. Chem. Soc. Perkin I 457 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3