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2-Adamantane carboxylic acid, methyl ester
SpectraBase Compound ID HThL11VzXDX
InChI InChI=1S/C12H18O2/c1-14-12(13)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3
InChIKey IRGQVHHWSAJAFS-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlSlCIjb7K0
Name 2-Adamantane carboxylic acid, methyl ester
CAS Registry Number 22635-52-5
Comments C11 LABELED WITH 13-C
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-14-12(13)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3
InChIKey IRGQVHHWSAJAFS-UHFFFAOYSA-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 Benzene-D6