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2,4-Diazido-6-(phenylmethyl)sulfinyl-benzenecarbonitrile
SpectraBase Compound ID G4U40ruOMP1
InChI InChI=1S/C14H9N7OS/c15-8-12-13(19-21-17)6-11(18-20-16)7-14(12)23(22)9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKey PTFALCAYNDPWCW-UHFFFAOYSA-N
Mol Weight 323.33 g/mol
Molecular Formula C14H9N7OS
Exact Mass 323.058929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCUZ6l0z0OM
Name 2,4-diazido-6-(phenylmethyl)sulfinyl-benzenecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C14H9N7OS
InChI InChI=1S/C14H9N7OS/c15-8-12-13(19-21-17)6-11(18-20-16)7-14(12)23(22)9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKey PTFALCAYNDPWCW-UHFFFAOYSA-N
Molecular Weight 323.334 g/mol
SMILES c1(c(S(Cc2ccccc2)=O)cc(N=[N+]=[N-])cc1N=[N+]=[N-])C#N
SPLASH splash10-0006-9001000000-314aa092dd0a18262a8e
Source of Spectrum H1-68-1116-9
Synonyms Benzonitrile, 2,4-diazido-6-benzylthio-, S-oxide 2,4-diazido-6-(phenylmethyl)sulfinylbenzonitrile 2,4-diazido-6-benzylsulfinyl-benzonitrile
Wiley ID 1593548