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QYGGBSVAYHCCLS-UHFFFAOYSA-N

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QYGGBSVAYHCCLS-UHFFFAOYSA-N
SpectraBase Compound ID AeY7MpOSS1I
InChI InChI=1S/C14H14O3/c1-17-14(16)12-7-11-9-4-2-3-8(9)5-6-10(11)13(12)15/h5-6,12H,2-4,7H2,1H3
InChIKey QYGGBSVAYHCCLS-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hX4Pz7ed5X
Name 2-CARBOXYMETHYL-4,5-CYClOPENTENOINDAN-1-ON
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-17-14(16)12-7-11-9-4-2-3-8(9)5-6-10(11)13(12)15/h5-6,12H,2-4,7H2,1H3
InChIKey QYGGBSVAYHCCLS-UHFFFAOYSA-N
Literature Reference Author M.MELMER,H.NEUDECK
Literature Reference Citation MH.CHEM.,127,275(1996)
Literature Reference DOI 10.1007/BF00813793
Molecular Weight 230.263 g/mol
Solvent CDCl3
Source File Reference UWGN47