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4-FORMYLOXY-4-METHYL-7-OXOOCT-2(Z)-ENOIC-ACID-ETHYLESTER
SpectraBase Compound ID 4rsKhmzTohu
InChI InChI=1S/C12H18O5/c1-4-16-11(15)6-8-12(3,17-9-13)7-5-10(2)14/h6,8-9H,4-5,7H2,1-3H3/b8-6-
InChIKey HXMHWPNZHDKHPP-VURMDHGXSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKOT9FiTJ6q
Name 4-FORMYLOXY-4-METHYL-7-OXOOCT-2(Z)-ENOIC-ACID-ETHYLESTER
Compound Number 2B-CO2ET
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-4-16-11(15)6-8-12(3,17-9-13)7-5-10(2)14/h6,8-9H,4-5,7H2,1-3H3/b8-6-
InChIKey HXMHWPNZHDKHPP-VURMDHGXSA-N
Literature Reference Author S.HILLERS,A.NIKLAUS,O.REISER
Literature Reference Citation J.ORG.CHEM.,58,3169(1993)
Literature Reference DOI 10.1021/jo00063a045
Molecular Weight 242.272 g/mol
Solvent CDCl3
Source File Reference UWRK4176