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1-Butanamine, N-(3-phenyl-2-propenylidene)-
SpectraBase Compound ID JUyAJ5GF60x
InChI InChI=1S/C13H17N/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h4-10,12H,2-3,11H2,1H3/b10-7+,14-12+
InChIKey XQAXOKLIOHMDIN-ZZZNDOSKSA-N
Mol Weight 187.29 g/mol
Molecular Formula C13H17N
Exact Mass 187.1361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8NKw1vogQUs
Name 1-Butanamine, N-(3-phenyl-2-propenylidene)-
Comments Computed using HOSE algorithm
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Exact Mass 187.136099551 u
Formula C13H17N
InChI InChI=1S/C13H17N/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h4-10,12H,2-3,11H2,1H3/b10-7+,14-12+
InChIKey XQAXOKLIOHMDIN-ZZZNDOSKSA-N
Molecular Weight 187.286 g/mol
SMILES C1=CC(\C=C\C=N\CCCC)=CC=C1