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GELIVBUWIPYZDN-UHFFFAOYSA-N
SpectraBase Compound ID 1RDzt58orW6
InChI InChI=1S/C18H13BrO3/c1-18(10-15(20)11-6-8-12(19)9-7-11)16(21)13-4-2-3-5-14(13)17(18)22/h2-9H,10H2,1H3
InChIKey GELIVBUWIPYZDN-UHFFFAOYSA-N
Mol Weight 357.2 g/mol
Molecular Formula C18H13BrO3
Exact Mass 356.004807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jyYsayJxIN
Name 2-(4-Bromo-phenacyl)-2-methyl-indan-1,3-dione
CAS Registry Number 112404-36-1
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 C18H13BrO3
InChI InChI=1S/C18H13BrO3/c1-18(10-15(20)11-6-8-12(19)9-7-11)16(21)13-4-2-3-5-14(13)17(18)22/h2-9H,10H2,1H3
InChIKey GELIVBUWIPYZDN-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