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4-Azido-2-phenylmethanesulfonyl-benzonitrile
SpectraBase Compound ID 3aVaOaUeu1L
InChI InChI=1S/C14H10N4O2S/c15-9-12-6-7-13(17-18-16)8-14(12)21(19,20)10-11-4-2-1-3-5-11/h1-8H,10H2
InChIKey DICFHPJFWFDXKQ-UHFFFAOYSA-N
Mol Weight 298.32 g/mol
Molecular Formula C14H10N4O2S
Exact Mass 298.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENpTB9liEpK
Name 4-Azido-2-phenylmethanesulfonyl-benzonitrile
Alternate Name(s) 4-Azido-2-(phenylmethyl)sulfonyl-benzenecarbonitrile 4-Azido-2-(phenylmethyl)sulfonylbenzonitrile 4-Azido-2-benzylsulfonyl-benzonitrile
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Formula C14H10N4O2S
InChI InChI=1S/C14H10N4O2S/c15-9-12-6-7-13(17-18-16)8-14(12)21(19,20)10-11-4-2-1-3-5-11/h1-8H,10H2
InChIKey DICFHPJFWFDXKQ-UHFFFAOYSA-N
Molecular Weight 298.320 g/mol
SMILES c1ccc(CS(c2c(C#N)ccc(N=[N+]=[N-])c2)(=O)=O)cc1
SPLASH splash10-0006-9010000000-6bd56f50f1ef0f3845b6
Wiley ID 1462603