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2-{2-[1,3-Dithian-2-yl(hydroxy)methyl]phenoxy}acetonitrile
SpectraBase Compound ID 3QNPBMlh3dS
InChI InChI=1S/C13H15NO2S2/c14-6-7-16-11-5-2-1-4-10(11)12(15)13-17-8-3-9-18-13/h1-2,4-5,12-13,15H,3,7-9H2
InChIKey KOOBNICYIZVCEO-UHFFFAOYSA-N
Mol Weight 281.39 g/mol
Molecular Formula C13H15NO2S2
Exact Mass 281.054421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3koE3Wfmf73
Name 2-{2-[1,3-Dithian-2-yl(hydroxy)methyl]phenoxy}acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2S2
InChI InChI=1S/C13H15NO2S2/c14-6-7-16-11-5-2-1-4-10(11)12(15)13-17-8-3-9-18-13/h1-2,4-5,12-13,15H,3,7-9H2
InChIKey KOOBNICYIZVCEO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol401610e
Molecular Weight 281.388 g/mol
SMILES OC(C1SCCCS1)c1c(OCC#N)cccc1
SPLASH splash10-014i-0900000000-f04ce0014bdbe88ccb15
Source of Spectrum A1-15-3876/SMS8-15e
Synonyms 2-(2-((1,3-dithian-2-yl)(hydroxy)methyl)phenoxy)acetonitrile
Wiley ID 1748938