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XTHPBGCIJMXYNI-UHFFFAOYSA-N
SpectraBase Compound ID DW3QOXlYozU
InChI InChI=1S/C10H14O4/c1-10(2)13-7-5-3-6(8(7)14-10)9(11)12-4-5/h5-8H,3-4H2,1-2H3
InChIKey XTHPBGCIJMXYNI-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfHDLlWwwq
Name (3aR,4R,8R,8aS)-2,2-DIMETHYLTETRAHYDRO-4,8-METHANO-1,3-DIOXOLO[4,5-d]OXEPIN-5(4H)-ONE
Source of Sample M. Arita, K. Adachi, Y. Ito J. Amer. Chem. Soc. 105, 4049(1983)
CAS Registry Number 85026-58-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-10(2)13-7-5-3-6(8(7)14-10)9(11)12-4-5/h5-8H,3-4H2,1-2H3
InChIKey XTHPBGCIJMXYNI-UHFFFAOYSA-N
Molecular Weight 198.22
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms 4,8-METHANO-1,3-DIOXOLO/4,5-D/OXEPIN- 5/4H/-ONE, 2,2-DIMETHYLTETRAHYDRO-, /3AR,4R,8R,8AS/-, 3-OXABICYCLO/3.2.1/OCTAN-2-ONE, 6,7-/ISOPROPYLIDENEDIOXY/-, /1R,5R,6R,- 7S/-,