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Ethyl 2-(o-tolylthio)penta-3,4-dienoate
SpectraBase Compound ID DzUKugTpoNs
InChI InChI=1S/C14H16O2S/c1-4-8-13(14(15)16-5-2)17-12-10-7-6-9-11(12)3/h6-10,13H,1,5H2,2-3H3
InChIKey XGTZCQDIDBZMEC-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jd4Ndm7o2V3
Name Ethyl 2-(o-tolylthio)penta-3,4-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.087100927 u
Formula C14H16O2S
GC Column Cyclosil-B (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 245oC
InChI InChI=1S/C14H16O2S/c1-4-8-13(14(15)16-5-2)17-12-10-7-6-9-11(12)3/h6-10,13H,1,5H2,2-3H3
InChIKey XGTZCQDIDBZMEC-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607278
Molecular Weight 248.340 g/mol
Quality 1
SMILES C(C)OC(C(C=C=C)SC1=C(C=CC=C1)C)=O
SPLASH splash10-004i-0900000000-3c2de23a29f6364c0386
Source of Spectrum ACI-55-SM22-31 (DOI: 10.1002/anie.201607278)
Wiley ID 1908163