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IAODBZRPNKCERE-UHFFFAOYSA-N
SpectraBase Compound ID FpTmO5Qq1ne
InChI InChI=1S/C7H6O2/c1-3-6-4-9-7(8)5(6)2/h1H,4H2,2H3
InChIKey IAODBZRPNKCERE-UHFFFAOYSA-N
Mol Weight 122.12 g/mol
Molecular Formula C7H6O2
Exact Mass 122.036779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89bT1K7P3wh
Name 3-ETHYNYL-2-METHYL-CYClOPENT-2-EN-5-OXA-1-ONE;(VITAMIN-D-DERIVATIVE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6O2
InChI InChI=1S/C7H6O2/c1-3-6-4-9-7(8)5(6)2/h1H,4H2,2H3
InChIKey IAODBZRPNKCERE-UHFFFAOYSA-N
Literature Reference Author S.A.BARRACK,R.A.GIBBS,W.H.OKAMURA
Literature Reference Citation J.ORG.CHEM.,53,1790(1988)
Literature Reference DOI 10.1021/jo00243a035
Molecular Weight 122.123 g/mol
Solvent CDCl3
Source File Reference UWWR5095