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Benzyl 2-(phenylthio)penta-3,4-dienoate
SpectraBase Compound ID 7lYQhGTyqN1
InChI InChI=1S/C18H16O2S/c1-2-9-17(21-16-12-7-4-8-13-16)18(19)20-14-15-10-5-3-6-11-15/h3-13,17H,1,14H2
InChIKey HWILPSJKBJPDDG-UHFFFAOYSA-N
Mol Weight 296.38 g/mol
Molecular Formula C18H16O2S
Exact Mass 296.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BR9tI3MXsEn
Name Benzyl 2-(phenylthio)penta-3,4-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.087100927 u
Formula C18H16O2S
GC Column Cyclosil-B (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 245oC
InChI InChI=1S/C18H16O2S/c1-2-9-17(21-16-12-7-4-8-13-16)18(19)20-14-15-10-5-3-6-11-15/h3-13,17H,1,14H2
InChIKey HWILPSJKBJPDDG-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607278
Quality 72
SMILES C1(=CC=CC=C1)COC(C(C=C=C)SC1=CC=CC=C1)=O
SPLASH splash10-0006-9010000000-4eedb5768e21101ddefd
Source of Spectrum ACI-55-SM21-29 (DOI: 10.1002/anie.201607278)
Wiley ID 1908161