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5,5-Dimethyl-2-(4-nitro-phenacyl)-cyclohexane-1,3-dione
SpectraBase Compound ID IPb44CgCQi9
InChI InChI=1S/C16H17NO5/c1-16(2)8-14(19)12(15(20)9-16)7-13(18)10-3-5-11(6-4-10)17(21)22/h3-6,12H,7-9H2,1-2H3
InChIKey IFOJKBXDKDBZHM-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfqhQ2Zl5HY
Name 5,5-Dimethyl-2-(4-nitro-phenacyl)-cyclohexane-1,3-dione
CAS Registry Number 112404-29-2
Comments TABLE LAYOUT INCORRECT, C-M AND C-P HEADINGS SHOULD BE BELOW C-I AND C-O, RESPECTIVELY
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-16(2)8-14(19)12(15(20)9-16)7-13(18)10-3-5-11(6-4-10)17(21)22/h3-6,12H,7-9H2,1-2H3
InChIKey IFOJKBXDKDBZHM-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference M.P. Sammes, P.M. Maini, Magn. Res. Chem. 25, 372 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6