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6-Methylthio-3E,5E-hexadienyl Azidoformate
SpectraBase Compound ID A8bEVPyx8Hn
InChI InChI=1S/C8H11N3O2S/c1-14-7-5-3-2-4-6-13-8(12)10-11-9/h2-3,5,7H,4,6H2,1H3/b3-2+,7-5+
InChIKey PRRAZXIBOLUIBD-QGZVWANCSA-N
Mol Weight 213.25 g/mol
Molecular Formula C8H11N3O2S
Exact Mass 213.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWTucJjr3VH
Name 6-Methylthio-3E,5E-hexadienyl Azidoformate
Alternate Name(s) (3E,5E)-6-(methylsulfanyl)-3,5-hexadienyl azidocarbonate [(3E,5E)-6-methylsulfanylhexa-3,5-dienyl] N-diazocarbamate
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Formula C8H11N3O2S
InChI InChI=1S/C8H11N3O2S/c1-14-7-5-3-2-4-6-13-8(12)10-11-9/h2-3,5,7H,4,6H2,1H3/b3-2+,7-5+
InChIKey PRRAZXIBOLUIBD-QGZVWANCSA-N
Molecular Weight 213.255 g/mol
SMILES C(N=[N+]=[N-])(=O)OCC\C=C\C=C\SC
SPLASH splash10-004i-9210000000-144334b590d0a421490e
Source of Spectrum J-66-6591-17
Wiley ID 1535898