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(1S,3R,4S,5S,6S)-6-ETHYL-3-METHYL-4-PHENETHYL-2-OXABICYCLO-[3.1.0]-HEXANE-3,6-DICARBOXYLATE
SpectraBase Compound ID IIsUYKaDJSk
InChI InChI=1S/C18H22O5/c1-3-22-17(19)14-13-12(10-9-11-7-5-4-6-8-11)15(18(20)21-2)23-16(13)14/h4-8,12-16H,3,9-10H2,1-2H3/t12-,13-,14-,15+,16-/m0/s1
InChIKey PQRMBXBBAHXZGD-GVRJEKJASA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYkGOwSgC1y
Name (1S,3R,4S,5S,6S)-6-ETHYL-3-METHYL-4-PHENETHYL-2-OXABICYCLO-[3.1.0]-HEXANE-3,6-DICARBOXYLATE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-3-22-17(19)14-13-12(10-9-11-7-5-4-6-8-11)15(18(20)21-2)23-16(13)14/h4-8,12-16H,3,9-10H2,1-2H3/t12-,13-,14-,15+,16-/m0/s1
InChIKey PQRMBXBBAHXZGD-GVRJEKJASA-N
Literature Reference Author R.WEISSER,W.YUE,O.REISER
Literature Reference Citation ORG.LETTERS,7,5353(2005)
Literature Reference DOI 10.1021/ol051457m
Molecular Weight 318.370 g/mol
Sample ID 62799
Solvent CDCl3