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Ethyl 2-((4-methylbenzyl)thio)pent-4-enoate
SpectraBase Compound ID 7xDvY5QhA6x
InChI InChI=1S/C15H20O2S/c1-4-6-14(15(16)17-5-2)18-11-13-9-7-12(3)8-10-13/h4,7-10,14H,1,5-6,11H2,2-3H3
InChIKey APDUINDMTHRKBY-UHFFFAOYSA-N
Mol Weight 264.38 g/mol
Molecular Formula C15H20O2S
Exact Mass 264.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FeTjhJONer
Name Ethyl 2-((4-methylbenzyl)thio)pent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2S
GC Column Cyclosil-B (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 245oC
InChI InChI=1S/C15H20O2S/c1-4-6-14(15(16)17-5-2)18-11-13-9-7-12(3)8-10-13/h4,7-10,14H,1,5-6,11H2,2-3H3
InChIKey APDUINDMTHRKBY-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607278
Molecular Weight 264.383 g/mol
Quality 50
SMILES C(SC(CC=C)C(OCC)=O)C1=CC=C(C=C1)C
SPLASH splash10-0a4i-0900000000-d74a033d97d568a3370d
Source of Spectrum ACI-55-SM18-21 (DOI: 10.1002/anie.201607278)
Wiley ID 1908156