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Carbonic acid, monoamide, N-benzyl-N-nonyl-, but-3-yn-1-yl ester

View entire compound with spectra: 1 NMR

Carbonic acid, monoamide, N-benzyl-N-nonyl-, but-3-yn-1-yl ester
SpectraBase Compound ID CDocgahT0t7
InChI InChI=1S/C21H31NO2/c1-3-5-7-8-9-10-14-17-22(21(23)24-18-6-4-2)19-20-15-12-11-13-16-20/h2,11-13,15-16H,3,5-10,14,17-19H2,1H3
InChIKey IBJKGZTYKSDEJQ-UHFFFAOYSA-N
Mol Weight 329.48 g/mol
Molecular Formula C21H31NO2
Exact Mass 329.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWerXLzvmmk
Name Carbonic acid, monoamide, N-benzyl-N-nonyl-, but-3-yn-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 329.235479240 u
Formula C21H31NO2
InChI InChI=1S/C21H31NO2/c1-3-5-7-8-9-10-14-17-22(21(23)24-18-6-4-2)19-20-15-12-11-13-16-20/h2,11-13,15-16H,3,5-10,14,17-19H2,1H3
InChIKey IBJKGZTYKSDEJQ-UHFFFAOYSA-N
Molecular Weight 329.484 g/mol
SMILES C(N(CCCCCCCCC)CC1=CC=CC=C1)(=O)OCCC#C