John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=14o18uDdMtQ SpectraBase Spectrum ID=AF39tbx8fN7

(accessed ).
methyl 2-[[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)-1-cyclopent-2-enyl]sulfanyl]acetate
SpectraBase Compound ID 14o18uDdMtQ
InChI InChI=1S/C16H18O2S/c1-5-14-13(8-6-7-12(2)3)9-10-15(14)19-11-16(17)18-4/h1,8,15H,9-11H2,2-4H3
InChIKey BRXFDRYZXDBDPU-UHFFFAOYSA-N
Mol Weight 274.38 g/mol
Molecular Formula C16H18O2S
Exact Mass 274.102752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AF39tbx8fN7
Name methyl 2-[[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)-1-cyclopent-2-enyl]sulfanyl]acetate
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O2S
InChI InChI=1S/C16H18O2S/c1-5-14-13(8-6-7-12(2)3)9-10-15(14)19-11-16(17)18-4/h1,8,15H,9-11H2,2-4H3
InChIKey BRXFDRYZXDBDPU-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 274.378 g/mol
Source File Reference MHKO3069
SpectraBase Batch ID 1YDJThgPoV8