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Benzyl 2-(phenylthio)pent-4-enoate
SpectraBase Compound ID ED8L2e3hGg5
InChI InChI=1S/C18H18O2S/c1-2-9-17(21-16-12-7-4-8-13-16)18(19)20-14-15-10-5-3-6-11-15/h2-8,10-13,17H,1,9,14H2
InChIKey XKAUVIMLBGGOIL-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C18H18O2S
Exact Mass 298.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGMhhilsLDz
Name Benzyl 2-(phenylthio)pent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.102750992 u
Formula C18H18O2S
GC Column Cyclosil-B (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 245oC
InChI InChI=1S/C18H18O2S/c1-2-9-17(21-16-12-7-4-8-13-16)18(19)20-14-15-10-5-3-6-11-15/h2-8,10-13,17H,1,9,14H2
InChIKey XKAUVIMLBGGOIL-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607278
Molecular Weight 298.400 g/mol
Quality 12
SMILES C1=CC(=CC=C1)SC(CC=C)C(OCC1=CC=CC=C1)=O
SPLASH splash10-0006-9000000000-175c2e0750705e1ef362
Source of Spectrum ACI-55-SM16-15 (DOI: 10.1002/anie.201607278)
Wiley ID 1908150