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TRANS-SPHAGNUM-ACID-ETHYLESTER;(E)-4-ETHOXYCARBONYL-3-(4'-HYDROXYPHENYL)-BUT-2-EN-1-CARBOXYLIC-ACID
SpectraBase Compound ID ERqMS1lGaGb
InChI InChI=1S/C13H14O5/c1-2-18-13(17)8-10(7-12(15)16)9-3-5-11(14)6-4-9/h3-7,14H,2,8H2,1H3,(H,15,16)/b10-7+
InChIKey YKFMYBNHALYUDC-JXMROGBWSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Adw6sfzzEAi
Name TRANS-SPHAGNUM-ACID-ETHYLESTER;(E)-4-ETHOXYCARBONYL-3-(4'-HYDROXYPHENYL)-BUT-2-EN-1-CARBOXYLIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-2-18-13(17)8-10(7-12(15)16)9-3-5-11(14)6-4-9/h3-7,14H,2,8H2,1H3,(H,15,16)/b10-7+
InChIKey YKFMYBNHALYUDC-JXMROGBWSA-N
Literature Reference Author S.RASMUSSEN,C.WOLFF,H.RUDOLPH
Literature Reference Citation PHYTOCHEM.,38,35(1995)
Literature Reference DOI 10.1016/0031-9422(94)00650-I
Molecular Weight 250.251 g/mol
Solvent ACETONE-D6
Source File Reference UWMS4610