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(E/Z)-o-Isocyano-.beta.methoxy-.alpha.-phenylstrene
SpectraBase Compound ID HSXnpR3JoR0
InChI InChI=1S/C16H13NO/c1-17-16-11-7-6-10-14(16)15(12-18-2)13-8-4-3-5-9-13/h3-12H,2H3/b15-12+
InChIKey NJMWPDWDVRPERD-NTCAYCPXSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IPl0rPS1hR
Name (E/Z)-o-Isocyano-.beta.methoxy-.alpha.-phenylstrene
Alternate Name(s) 1-isocyano-2-[(E)-2-methoxy-1-phenylethenyl]benzene 1-isocyano-2-[(E)-2-methoxy-1-phenyl-ethenyl]benzene
Comments Less than 3 mono-isotopic peaks
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Formula C16H13NO
InChI InChI=1S/C16H13NO/c1-17-16-11-7-6-10-14(16)15(12-18-2)13-8-4-3-5-9-13/h3-12H,2H3/b15-12+
InChIKey NJMWPDWDVRPERD-NTCAYCPXSA-N
Molecular Weight 235.286 g/mol
SMILES c1(\C(=C\OC)c2ccccc2)c([N+]#[C-])cccc1
SPLASH splash10-00kr-0790000000-f37a9e50305503495b04
Source of Spectrum C4-32-77-1
Wiley ID 1520136