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endo-2,3-Dideuterio-1-benzoyl-tricyclo(2.2.1.0/2,6/)heptane

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endo-2,3-Dideuterio-1-benzoyl-tricyclo(2.2.1.0/2,6/)heptane
SpectraBase Compound ID H3u0ZpCJ4BQ
InChI InChI=1S/C14H14O/c15-13(10-4-2-1-3-5-10)14-8-9-6-11(14)12(14)7-9/h1-5,9,11-12H,6-8H2/t9-,11+,12-,14-/i6D,11D/t6?,9-,11+,12-,14-/m1/s1
InChIKey YTGRLHYXDOUEOZ-SIHAQBJDSA-N
Mol Weight 200.28 g/mol
Molecular Formula C14H12D2O
Exact Mass 200.117019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59IFKPXaI8v
Name endo-2,3-Dideuterio-1-benzoyl-tricyclo(2.2.1.0/2,6/)heptane
CAS Registry Number 82027-29-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H12D2O
InChI InChI=1S/C14H14O/c15-13(10-4-2-1-3-5-10)14-8-9-6-11(14)12(14)7-9/h1-5,9,11-12H,6-8H2/t9-,11+,12-,14-/i6D,11D/t6?,9-,11+,12-,14-/m1/s1
InChIKey YTGRLHYXDOUEOZ-SIHAQBJDSA-N
Instrument Name Varian XL-100
Literature Reference X. Creary, C.C. Geiger, J. Am. Chem. Soc. 104, 4151 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3