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6-(METHOXYCARBONYL)-OCTAHYDROPENTALEN-1-ONE
SpectraBase Compound ID 1mimnjnI7Pw
InChI InChI=1S/C10H14O3/c1-13-10(12)7-4-2-6-3-5-8(11)9(6)7/h6-7,9H,2-5H2,1H3/t6-,7+,9+/m1/s1
InChIKey PFXCBGRGUCTBPR-FJXKBIBVSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gzc19DX4Iu7
Name 6-(METHOXYCARBONYL)-OCTAHYDROPENTALEN-1-ONE
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-13-10(12)7-4-2-6-3-5-8(11)9(6)7/h6-7,9H,2-5H2,1H3/t6-,7+,9+/m1/s1
InChIKey PFXCBGRGUCTBPR-FJXKBIBVSA-N
Literature Reference Author I.RYU,S.KREIMERMAN,F.ARAKI,S.NISHITANI,Y.ODERAOTOSHI,S.MINAK ATA,M.KOMATSU
Literature Reference Citation J.AM.CHEM.SOC.,124,3812(2002)
Literature Reference DOI 10.1021/ja017315e
Molecular Weight 182.219 g/mol
Sample ID 33563
Solvent CDCl3