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2-(Phenethylthio)hexanal

View entire compound with spectra: 1 MS (GC)

2-(Phenethylthio)hexanal
SpectraBase Compound ID 3n1OaoFLRHD
InChI InChI=1S/C14H20OS/c1-2-3-9-14(12-15)16-11-10-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3
InChIKey NVRHVVRRELKAOX-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 6cO2HPyDXu8
Name 2-(Phenethylthio)hexanal
Alternate Name(s) 2-[(2-Phenylethyl)sulfanyl]hexanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-2-3-9-14(12-15)16-11-10-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3
InChIKey NVRHVVRRELKAOX-UHFFFAOYSA-N
Molecular Weight 236.373 g/mol
SMILES C(=O)C(SCCc1ccccc1)CCCC
SPLASH splash10-0pb9-1920000000-c2ca9f453924a6eb5efa
Source of Spectrum J-59-7382-15
Wiley ID 1238309