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Methyl (S)-2-Ethylpent-4-enoate
SpectraBase Compound ID uTsNOCM0gn
InChI InChI=1S/C8H14O2/c1-4-6-7(5-2)8(9)10-3/h4,7H,1,5-6H2,2-3H3/t7-/m0/s1
InChIKey BCIXGZZMWYVOFR-ZETCQYMHSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5T37G75jRiN
Name Methyl (S)-2-Ethylpent-4-enoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 142.099379689 u
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-4-6-7(5-2)8(9)10-3/h4,7H,1,5-6H2,2-3H3/t7-/m0/s1
InChIKey BCIXGZZMWYVOFR-ZETCQYMHSA-N
Instrument Name ThermoFinnigan Trace GC
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900822
Molecular Weight 142.198 g/mol
Optical Rotation [a]D24 = +0.5 (CHCl3, c = 1)
Quality 327
SMILES C(=C)C[C@](CC)(C(OC)=O)[H]
SPLASH splash10-08gi-9700000000-f60b23239fa4f52dc1f9
Sample Comments 30% ee
Source of Spectrum K1-2019-SM3-(S)-5d (DOI: 10.1002/ejoc.201900822)
Thin-Layer Chromatography 0.8 (n-pentane/diethyl ether, 9:1)
Wiley ID 1891962