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3-Benzyloxy-1-isocyanopropene
SpectraBase Compound ID Dvu2o0I3OtD
InChI InChI=1S/C11H11NO/c1-12-8-5-9-13-10-11-6-3-2-4-7-11/h2-8H,9-10H2/b8-5+
InChIKey BPCBHUZGUUBBGZ-VMPITWQZSA-N
Mol Weight 173.21 g/mol
Molecular Formula C11H11NO
Exact Mass 173.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyoRXLxCNjb
Name 3-Benzyloxy-1-isocyanopropene
Alternate Name(s) ({[(2E)-3-isocyanoprop-2-en-1-yl]oxy}methyl)benzene [(E)-3-isocyanoprop-2-enoxy]methylbenzene
Comments Less than 3 mono-isotopic peaks
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Formula C11H11NO
InChI InChI=1S/C11H11NO/c1-12-8-5-9-13-10-11-6-3-2-4-7-11/h2-8H,9-10H2/b8-5+
InChIKey BPCBHUZGUUBBGZ-VMPITWQZSA-N
Molecular Weight 173.215 g/mol
SMILES C(\C=C\[N+]#[C-])OCc1ccccc1
SPLASH splash10-0006-9100000000-5358bd5f77f63216d76c
Source of Spectrum AT-37-2440-6
Wiley ID 853503