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4-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-2-yl)butanal
SpectraBase Compound ID 3mZakfXNRVC
InChI InChI=1S/C14H16O3S2/c15-9-5-4-8-14-10-13(11-19(14,16)17)18-12-6-2-1-3-7-12/h1-3,6-7,9-10,14H,4-5,8,11H2
InChIKey LSOAYMCINFJFEY-UHFFFAOYSA-N
Mol Weight 296.4 g/mol
Molecular Formula C14H16O3S2
Exact Mass 296.054087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5w8fiYoqgbU
Name 4-(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-2-yl)butanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3S2
InChI InChI=1S/C14H16O3S2/c15-9-5-4-8-14-10-13(11-19(14,16)17)18-12-6-2-1-3-7-12/h1-3,6-7,9-10,14H,4-5,8,11H2
InChIKey LSOAYMCINFJFEY-UHFFFAOYSA-N
Molecular Weight 296.399 g/mol
SMILES C1S(C(C=C1Sc1ccccc1)CCCC=O)(=O)=O
SPLASH splash10-03di-0900000000-be6af43591960c3f2600
Source of Spectrum QA-45-166-4
Synonyms 4-[1,1-bis(oxidanylidene)-4-phenylsulfanyl-2,5-dihydrothiophen-2-yl]butanal 4-[1,1-diketo-4-(phenylthio)-2,5-dihydrothiophen-2-yl]butyraldehyde 4-[1,1-dioxo-4-(phenylthio)-2,5-dihydrothiophen-2-yl]butanal
Wiley ID 862734