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2-phenylsulfanylpent-4-enal
SpectraBase Compound ID AsagjqhNePr
InChI InChI=1S/C11H12OS/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2
InChIKey XCUJECYGEZCCTO-UHFFFAOYSA-N
Mol Weight 192.28 g/mol
Molecular Formula C11H12OS
Exact Mass 192.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72Ywsq6sWyh
Name 2-phenylsulfanylpent-4-enal
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12OS
InChI InChI=1S/C11H12OS/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2
InChIKey XCUJECYGEZCCTO-UHFFFAOYSA-N
Instrument Name TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000119
Molecular Weight 192.276 g/mol
SMILES c1ccc(cc1)SC(CC=C)C=O
SPLASH splash10-08g0-0900000000-c92b9f05c2c4a953df5c
Source of Spectrum ACI-59-SM54-5a
Wiley ID 1857717