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Ethyl 2-(octylthio)pent-4-enoate
SpectraBase Compound ID 4UcvqdtdrSV
InChI InChI=1S/C15H28O2S/c1-4-7-8-9-10-11-13-18-14(12-5-2)15(16)17-6-3/h5,14H,2,4,6-13H2,1,3H3
InChIKey ZROSYQRBFNAGFE-UHFFFAOYSA-N
Mol Weight 272.45 g/mol
Molecular Formula C15H28O2S
Exact Mass 272.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SjGr5pmsbo
Name Ethyl 2-(octylthio)pent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.181001314 u
Formula C15H28O2S
GC Column Cyclosil-B (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 245oC
InChI InChI=1S/C15H28O2S/c1-4-7-8-9-10-11-13-18-14(12-5-2)15(16)17-6-3/h5,14H,2,4,6-13H2,1,3H3
InChIKey ZROSYQRBFNAGFE-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607278
Molecular Weight 272.447 g/mol
Quality 90
SMILES C(C)OC(C(CC=C)SCCCCCCCC)=O
SPLASH splash10-00or-9800000000-f78a70fbf45e4c72f978
Source of Spectrum ACI-55-SM19-23 (DOI: 10.1002/anie.201607278)
Wiley ID 1908158