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N-(2-Phenylethyl)-cis-2,3-epoxynona-6,8-diynamide
SpectraBase Compound ID Adrz3wnFBRU
InChI InChI=1S/C17H17NO2/c1-2-3-4-8-11-15-16(20-15)17(19)18-13-12-14-9-6-5-7-10-14/h1,5-7,9-10,15-16H,8,11-13H2,(H,18,19)/t15-,16-/m1/s1
InChIKey UVCFLCZPDBLQNV-HZPDHXFCSA-N
Mol Weight 267.33 g/mol
Molecular Formula C17H17NO2
Exact Mass 267.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lULC3FrBvE
Name N-(2-Phenylethyl)-cis-2,3-epoxynona-6,8-diynamide
Comments Computed using HOSE algorithm
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Exact Mass 267.125928789 u
Formula C17H17NO2
InChI InChI=1S/C17H17NO2/c1-2-3-4-8-11-15-16(20-15)17(19)18-13-12-14-9-6-5-7-10-14/h1,5-7,9-10,15-16H,8,11-13H2,(H,18,19)/t15-,16-/m1/s1
InChIKey UVCFLCZPDBLQNV-HZPDHXFCSA-N
Molecular Weight 267.328 g/mol
SMILES C(NCCC1=CC=CC=C1)(=O)[C@]1([C@@](CCC#CC#C)(O1)[H])[H]