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Ethyl 2-((4-(trifluoromethyl)phenyl)thio)pent-4-enoate
SpectraBase Compound ID 3Ot1cITpYng
InChI InChI=1S/C14H15F3O2S/c1-3-5-12(13(18)19-4-2)20-11-8-6-10(7-9-11)14(15,16)17/h3,6-9,12H,1,4-5H2,2H3
InChIKey SCTOHXOHECNJJE-UHFFFAOYSA-N
Mol Weight 304.33 g/mol
Molecular Formula C14H15F3O2S
Exact Mass 304.074485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HK7TjkGOhZI
Name Ethyl 2-((4-(trifluoromethyl)phenyl)thio)pent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15F3O2S
GC Column Cyclosil-B (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 245oC
InChI InChI=1S/C14H15F3O2S/c1-3-5-12(13(18)19-4-2)20-11-8-6-10(7-9-11)14(15,16)17/h3,6-9,12H,1,4-5H2,2H3
InChIKey SCTOHXOHECNJJE-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607278
Molecular Weight 304.327 g/mol
Quality 23
SMILES C1=CC(=CC=C1C(F)(F)F)SC(CC=C)C(OCC)=O
SPLASH splash10-000i-4900000000-b518a5ef6fb8a1d31eb3
Source of Spectrum ACI-55-SM17-18 (DOI: 10.1002/anie.201607278)
Wiley ID 1908153