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Ethyl 2-((4-chlorophenyl)thio)pent-4-enoate
SpectraBase Compound ID 20S7MIm8gad
InChI InChI=1S/C13H15ClO2S/c1-3-5-12(13(15)16-4-2)17-11-8-6-10(14)7-9-11/h3,6-9,12H,1,4-5H2,2H3
InChIKey RNBZPEPTSABKTH-UHFFFAOYSA-N
Mol Weight 270.77 g/mol
Molecular Formula C13H15ClO2S
Exact Mass 270.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TjxGe3cMtH
Name Ethyl 2-((4-chlorophenyl)thio)pent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClO2S
GC Column Cyclosil-B (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 245oC
InChI InChI=1S/C13H15ClO2S/c1-3-5-12(13(15)16-4-2)17-11-8-6-10(14)7-9-11/h3,6-9,12H,1,4-5H2,2H3
InChIKey RNBZPEPTSABKTH-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607278
Quality 22
SMILES C1=CC(=CC=C1Cl)SC(CC=C)C(OCC)=O
SPLASH splash10-053r-0900000000-9fca2f1ac6266ce0f64a
Source of Spectrum ACI-55-SM16-16 (DOI: 10.1002/anie.201607278)
Wiley ID 1908151