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Ethyl 2-((4-chlorophenyl)thio)penta-3,4-dienoate
SpectraBase Compound ID H1SAukQSCPa
InChI InChI=1S/C13H13ClO2S/c1-3-5-12(13(15)16-4-2)17-11-8-6-10(14)7-9-11/h5-9,12H,1,4H2,2H3
InChIKey SZVXUWMBQYQAFU-UHFFFAOYSA-N
Mol Weight 268.76 g/mol
Molecular Formula C13H13ClO2S
Exact Mass 268.032479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCWBG3rFWtU
Name Ethyl 2-((4-chlorophenyl)thio)penta-3,4-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.032478531 u
Formula C13H13ClO2S
GC Column Cyclosil-B (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 245oC
InChI InChI=1S/C13H13ClO2S/c1-3-5-12(13(15)16-4-2)17-11-8-6-10(14)7-9-11/h5-9,12H,1,4H2,2H3
InChIKey SZVXUWMBQYQAFU-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607278
SMILES C(C)OC(C(C=C=C)SC1=CC=C(C=C1)Cl)=O
SPLASH splash10-0002-0900000000-e62c6e72cf6a0f7650ba
Source of Spectrum ACI-55-SM21-30 (DOI: 10.1002/anie.201607278)
Wiley ID 1908162