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2-(3,4-dimethoxyphenyl)sulfanylpent-4-enal
SpectraBase Compound ID LcogF6vHMOt
InChI InChI=1S/C13H16O3S/c1-4-5-11(9-14)17-10-6-7-12(15-2)13(8-10)16-3/h4,6-9,11H,1,5H2,2-3H3
InChIKey JXSFKHMEENKLMQ-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFSGi7OUF8p
Name 2-(3,4-dimethoxyphenyl)sulfanylpent-4-enal
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-4-5-11(9-14)17-10-6-7-12(15-2)13(8-10)16-3/h4,6-9,11H,1,5H2,2-3H3
InChIKey JXSFKHMEENKLMQ-UHFFFAOYSA-N
Instrument Name TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000119
Molecular Weight 252.328 g/mol
SMILES c1(c(cc(cc1)SC(CC=C)C=O)OC)OC
SPLASH splash10-014i-0290000000-9b8e201c0163302d144e
Source of Spectrum ACI-59-SM56-5k
Wiley ID 1857721