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METHYL-(E)-4-[2-(2,3-DIHYDRO-3,3-DIMETHYLBENZO-[B]-THIEN-5-YL)-1-PROPENYL]-BENZOATE
SpectraBase Compound ID KSJJrAfv7GB
InChI InChI=1S/C21H22O2S/c1-14(11-15-5-7-16(8-6-15)20(22)23-4)17-9-10-19-18(12-17)21(2,3)13-24-19/h5-12H,13H2,1-4H3/b14-11+
InChIKey HHKZDSCOMCAPAY-SDNWHVSQSA-N
Mol Weight 338.47 g/mol
Molecular Formula C21H22O2S
Exact Mass 338.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKYaF7gdXCW
Name METHYL-(E)-4-[2-(2,3-DIHYDRO-3,3-DIMETHYLBENZO-[B]-THIEN-5-YL)-1-PROPENYL]-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O2S
InChI InChI=1S/C21H22O2S/c1-14(11-15-5-7-16(8-6-15)20(22)23-4)17-9-10-19-18(12-17)21(2,3)13-24-19/h5-12H,13H2,1-4H3/b14-11+
InChIKey HHKZDSCOMCAPAY-SDNWHVSQSA-N
Literature Reference Author J.B.GALE,S.N.RAJADHYAKSHA,L.W.SPRUCE,K.D.BERLIN,X.JI,A.SLAGL E,D.VANDERHELM
Literature Reference Citation J.ORG.CHEM.,55,3984(1990)
Literature Reference DOI 10.1021/jo00300a009
Molecular Weight 338.464 g/mol
Solvent CDCl3
Source File Reference UWED12515