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4-(Phenylthio)octanal

View entire compound with spectra: 1 MS (GC)

4-(Phenylthio)octanal
SpectraBase Compound ID E67vPd0W16Q
InChI InChI=1S/C14H20OS/c1-2-3-8-13(11-7-12-15)16-14-9-5-4-6-10-14/h4-6,9-10,12-13H,2-3,7-8,11H2,1H3
InChIKey NUBFYFQDJAJULT-UHFFFAOYSA-N
Mol Weight 236.37 g/mol
Molecular Formula C14H20OS
Exact Mass 236.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48p7YEU50cv
Name 4-(Phenylthio)octanal
Alternate Name(s) 4-(Phenylthio)caprylaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-2-3-8-13(11-7-12-15)16-14-9-5-4-6-10-14/h4-6,9-10,12-13H,2-3,7-8,11H2,1H3
InChIKey NUBFYFQDJAJULT-UHFFFAOYSA-N
Molecular Weight 236.373 g/mol
SMILES c1(SC(CCC=O)CCCC)ccccc1
SPLASH splash10-08fr-1900000000-7b9b40a6ca038b9dff8c
Source of Spectrum J-58-2684-4
Wiley ID 1238303