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(Z)-1-[(3,4-Dimethoxycinnamoyl)amino]-4-[(3-methylbut-2-enyl)guanidino]butane
SpectraBase Compound ID CLxMXPd0PZ5
InChI InChI=1S/C21H32N4O3/c1-16(2)11-14-25(21(22)23)13-6-5-12-24-20(26)10-8-17-7-9-18(27-3)19(15-17)28-4/h7-11,15H,5-6,12-14H2,1-4H3,(H3,22,23)(H,24,26)/b10-8-
InChIKey IBBPQVGKYBQYDO-NTMALXAHSA-N
Mol Weight 388.5 g/mol
Molecular Formula C21H32N4O3
Exact Mass 388.247441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NUXQNOL86p
Name (Z)-1-[(3,4-Dimethoxycinnamoyl)amino]-4-[(3-methylbut-2-enyl)guanidino]butane
Comments Computed using HOSE algorithm
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Exact Mass 388.247440903 u
Formula C21H32N4O3
InChI InChI=1S/C21H32N4O3/c1-16(2)11-14-25(21(22)23)13-6-5-12-24-20(26)10-8-17-7-9-18(27-3)19(15-17)28-4/h7-11,15H,5-6,12-14H2,1-4H3,(H3,22,23)(H,24,26)/b10-8-
InChIKey IBBPQVGKYBQYDO-NTMALXAHSA-N
Molecular Weight 388.512 g/mol
SMILES C(CCCN(C(=N)N)CC=C(C)C)NC(\C=C/C=1C=C(C(=CC1)OC)OC)=O