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Oxalic acid, monoamide, N-(2-phenylethyl)-, hexyl ester
SpectraBase Compound ID 7Jgu5OEWMS2
InChI InChI=1S/C16H23NO3/c1-2-3-4-8-13-20-16(19)15(18)17-12-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,17,18)
InChIKey BPLIMXGKIPLDMY-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21OBGQVVpjG
Name Oxalic acid, monoamide, N-(2-phenylethyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 277.167793602 u
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-2-3-4-8-13-20-16(19)15(18)17-12-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,17,18)
InChIKey BPLIMXGKIPLDMY-UHFFFAOYSA-N
SMILES CCCCCCOC(C(=O)NCCC1=CC=CC=C1)=O