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(E)-2-BUTENDIOIC-ACID-MONO-(1,1-DIMETHYL)-ETHYLESTER
SpectraBase Compound ID 4U1RfC2qxC4
InChI InChI=1S/C8H12O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4+
InChIKey BAXKSCVINAKVNE-SNAWJCMRSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLJSPycn2i7
Name (E)-2-BUTENDIOIC-ACID-MONO-(1,1-DIMETHYL)-ETHYLESTER
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4+
InChIKey BAXKSCVINAKVNE-SNAWJCMRSA-N
Literature Reference Author S.E.DENMARK,A.THORARENSEN,D.S.MIDDLETON
Literature Reference Citation J.AM.CHEM.SOC.,118,8266(1996)
Literature Reference DOI 10.1021/ja961630x
Molecular Weight 172.181 g/mol
Sample ID 45915
Solvent CDCl3