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3-(Thiomorpholin-4-yl)butanenitrile
SpectraBase Compound ID Iuk9aPzDxAu
InChI InChI=1S/C8H14N2S/c1-8(2-3-9)10-4-6-11-7-5-10/h8H,2,4-7H2,1H3
InChIKey XHZGBNXQWFGGFN-UHFFFAOYSA-N
Mol Weight 170.27 g/mol
Molecular Formula C8H14N2S
Exact Mass 170.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCypchQuc7N
Name 3-(Thiomorpholin-4-yl)butanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14N2S
InChI InChI=1S/C8H14N2S/c1-8(2-3-9)10-4-6-11-7-5-10/h8H,2,4-7H2,1H3
InChIKey XHZGBNXQWFGGFN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200790048
Molecular Weight 170.274 g/mol
SMILES CC(N1CCSCC1)CC#N
SPLASH splash10-03di-0900000000-72849d75c5cf33f17b15
Source of Spectrum H-90-422-Pageno422,Compound4
Synonyms 3-Thiomorpholinobutanenitrile
Wiley ID 1783847