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Benzonitrile, 3-nitro-4-(4-thiomorpholyl)-
SpectraBase Compound ID 31u31FsSYwo
InChI InChI=1S/C11H11N3O2S/c12-8-9-1-2-10(11(7-9)14(15)16)13-3-5-17-6-4-13/h1-2,7H,3-6H2
InChIKey NSXUZGPKBJZZPH-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqhrIOfz7f3
Name Benzonitrile, 3-nitro-4-(4-thiomorpholyl)-
Alternate Name(s) 3-Nitro-4-(4-thiomorpholinyl)benzonitrile 3-Nitro-4-thiomorpholin-4-yl-benzenecarbonitrile 3-Nitro-4-thiomorpholin-4-ylbenzonitrile 3-Nitro-4-thiomorpholino-benzonitrile
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Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c12-8-9-1-2-10(11(7-9)14(15)16)13-3-5-17-6-4-13/h1-2,7H,3-6H2
InChIKey NSXUZGPKBJZZPH-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES c1(N(=O)=O)c(N2CCSCC2)ccc(C#N)c1
SPLASH splash10-0002-6910000000-7cf261b8ba978e252c8e
Source of Spectrum AD-0-2532-0
Wiley ID 1429456