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2-(m-tolylsulfanyl)pent-4-enal
SpectraBase Compound ID KBxzbVOoD77
InChI InChI=1S/C12H14OS/c1-3-5-12(9-13)14-11-7-4-6-10(2)8-11/h3-4,6-9,12H,1,5H2,2H3
InChIKey ZLILKWNDFNLOFU-UHFFFAOYSA-N
Mol Weight 206.3 g/mol
Molecular Formula C12H14OS
Exact Mass 206.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3px4cAF6hEK
Name 2-(m-tolylsulfanyl)pent-4-enal
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14OS
InChI InChI=1S/C12H14OS/c1-3-5-12(9-13)14-11-7-4-6-10(2)8-11/h3-4,6-9,12H,1,5H2,2H3
InChIKey ZLILKWNDFNLOFU-UHFFFAOYSA-N
Instrument Name TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000119
Molecular Weight 206.303 g/mol
SMILES c1c(cc(cc1)SC(CC=C)C=O)C
SPLASH splash10-002b-1900000000-e0356c56c336eef3966b
Source of Spectrum ACI-59-SM56-5i
Wiley ID 1857719