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UJPLWQXZZKIDDG-UHFFFAOYSA-N
SpectraBase Compound ID Bmfwp4OP9E1
InChI InChI=1S/C18H13NO5/c1-18(16(21)13-4-2-3-5-14(13)17(18)22)10-15(20)11-6-8-12(9-7-11)19(23)24/h2-9H,10H2,1H3
InChIKey UJPLWQXZZKIDDG-UHFFFAOYSA-N
Mol Weight 323.3 g/mol
Molecular Formula C18H13NO5
Exact Mass 323.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ufjILpNHWR
Name 2-Methyl-2-(4-nitro-phenacyl)-indan-1,3-dione
CAS Registry Number 112404-38-3
Comments TABLE LAYOUT INCORRECT, C-M AND C-P HEADINGS SHOULD BE BELOW C-I AND C-O, RESPECTIVELY
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H13NO5
InChI InChI=1S/C18H13NO5/c1-18(16(21)13-4-2-3-5-14(13)17(18)22)10-15(20)11-6-8-12(9-7-11)19(23)24/h2-9H,10H2,1H3
InChIKey UJPLWQXZZKIDDG-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 CDCl3