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Ethyl 2-((4-methoxyphenyl)thio)pent-4-enoate
SpectraBase Compound ID LKMMxBinPPC
InChI InChI=1S/C14H18O3S/c1-4-6-13(14(15)17-5-2)18-12-9-7-11(16-3)8-10-12/h4,7-10,13H,1,5-6H2,2-3H3
InChIKey INTFTNWTQDYUCJ-UHFFFAOYSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXPBDE45R2w
Name Ethyl 2-((4-methoxyphenyl)thio)pent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.097665611 u
Formula C14H18O3S
GC Column Cyclosil-B (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 245oC
InChI InChI=1S/C14H18O3S/c1-4-6-13(14(15)17-5-2)18-12-9-7-11(16-3)8-10-12/h4,7-10,13H,1,5-6H2,2-3H3
InChIKey INTFTNWTQDYUCJ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607278
Molecular Weight 266.355 g/mol
Quality 39
SMILES C1=CC(=CC=C1OC)SC(CC=C)C(OCC)=O
SPLASH splash10-014r-0690000000-112a88442a88271075b1
Source of Spectrum ACI-55-SM16-17 (DOI: 10.1002/anie.201607278)
Wiley ID 1908152