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4',5',6',7'-Tetrahydro-spiro([2,2-dideuterio-cyclopropene]-1,2'-[4,7]-methano-(2H)-indene)
SpectraBase Compound ID wRzAjJqeNf
InChI InChI=1S/C12H14/c1-2-9-5-8(1)10-6-12(3-4-12)7-11(9)10/h6-9H,1-5H2/t8-,9+/i3D2/t8-,9+,12?
InChIKey YBDIDWYWYMRIHX-WKUXDVFFSA-N
Mol Weight 160.26 g/mol
Molecular Formula C12H12D2
Exact Mass 160.122104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYuEBXsuaIp
Name 4',5',6',7'-Tetrahydro-spiro([2,2-dideuterio-cyclopropene]-1,2'-[4,7]-methano-(2H)-indene)
CAS Registry Number 81897-92-9
Comments BOTH DEUTERIUM EITHER CONNECTED TO C11 OR C12
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12D2
InChI InChI=1S/C12H14/c1-2-9-5-8(1)10-6-12(3-4-12)7-11(9)10/h6-9H,1-5H2/t8-,9+/i3D2/t8-,9+,12?
InChIKey YBDIDWYWYMRIHX-WKUXDVFFSA-N
Instrument Name Bruker WP-80
Literature Reference L.A. Paquette, P. Charumilind, T. Kravetz, J. Am. Chem. Soc. 105, 3126 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3