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3,5-Dimethyladamantane-1-carboxylic acid

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3,5-Dimethyladamantane-1-carboxylic acid
SpectraBase Compound ID AvfGcCtymfu
InChI InChI=1S/C13H20O2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)/t9-,11+,12-,13-
InChIKey BSWOQWGHXZTDOO-YYTOVBPXSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50NYPX2zKdn
Name 1-(3,5-Dimethyl-adamantane)-carboxylic acid
CAS Registry Number 14670-94-1
Comments C11 LABELED WITH 13-C
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)/t9-,11+,12-,13-
InChIKey BSWOQWGHXZTDOO-YYTOVBPXSA-N
Instrument Name Bruker WH-90
Literature Reference S.R. Walter, J.L. Marshall, C.R. McDaniel, J. Am. Chem. Soc. 105, 4185 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3