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4-((1-Hydroxyhexan-3-yl)thio)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-((1-Hydroxyhexan-3-yl)thio)benzonitrile
SpectraBase Compound ID 5TJn6Rvw2cV
InChI InChI=1S/C13H17NOS/c1-2-3-12(8-9-15)16-13-6-4-11(10-14)5-7-13/h4-7,12,15H,2-3,8-9H2,1H3
InChIKey JAXIHHGHFTXISH-UHFFFAOYSA-N
Mol Weight 235.34 g/mol
Molecular Formula C13H17NOS
Exact Mass 235.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gyupo5Ef5Pr
Name 4-((1-Hydroxyhexan-3-yl)thio)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NOS
InChI InChI=1S/C13H17NOS/c1-2-3-12(8-9-15)16-13-6-4-11(10-14)5-7-13/h4-7,12,15H,2-3,8-9H2,1H3
InChIKey JAXIHHGHFTXISH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00208
Molecular Weight 235.345 g/mol
SMILES OCCC(Sc1ccc(C#N)cc1)CCC
SPLASH splash10-004i-3920000000-0efc0d69ba8bd147affe
Source of Spectrum A1-18-876/SM26-3g
Wiley ID 1805249