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4-(Phenylthio)-4-thianecarboxaldehyde

View entire compound with spectra: 1 MS (GC)

4-(Phenylthio)-4-thianecarboxaldehyde
SpectraBase Compound ID BbqmXp23gLO
InChI InChI=1S/C12H14OS2/c13-10-12(6-8-14-9-7-12)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKey XYNNWCKQZQARGK-UHFFFAOYSA-N
Mol Weight 238.36 g/mol
Molecular Formula C12H14OS2
Exact Mass 238.048607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YUTPuXqCN9
Name 4-(Phenylthio)-4-thianecarboxaldehyde
Alternate Name(s) 4-(Phenylthio)tetrahydrothiopyran-4-carbaldehyde 4-Phenylsulfanyltetrahydrothiopyran-4-carbaldehyde 4-Phenylsulfanylthiane-4-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14OS2
InChI InChI=1S/C12H14OS2/c13-10-12(6-8-14-9-7-12)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKey XYNNWCKQZQARGK-UHFFFAOYSA-N
Molecular Weight 238.363 g/mol
SMILES C1(Sc2ccccc2)(C=O)CCSCC1
SPLASH splash10-0bt9-0690000000-50c56ab90f46d15be456
Source of Spectrum KC-0-1907-18
Wiley ID 831158