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(+)-trans-ETHYLKHELLACTONE
SpectraBase Compound ID 25l7JMtKH7I
InChI InChI=1S/C16H18O5/c1-4-19-14-12-10(21-16(2,3)15(14)18)7-5-9-6-8-11(17)20-13(9)12/h5-8,14-15,18H,4H2,1-3H3/t14-,15+/m1/s1
InChIKey UCLKQWHJVUDTFJ-CABCVRRESA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1AOMAjnhUL5
Name (+)-TRANS-ETHYL-KHELLACTONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-4-19-14-12-10(21-16(2,3)15(14)18)7-5-9-6-8-11(17)20-13(9)12/h5-8,14-15,18H,4H2,1-3H3/t14-,15+/m1/s1
InChIKey UCLKQWHJVUDTFJ-CABCVRRESA-N
Literature Reference Author Y.IKESHIRO,I.MASE,Y.TOMITA
Literature Reference Citation PHYTOCHEM.,31,4303(1992)
Literature Reference DOI 10.1016/0031-9422(92)80463-O
Molecular Weight 290.316 g/mol
Solvent CDCl3
Source File Reference UWVN26765