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3'-(cyclododecylideneamino)-1'H-spiro[cyclododecane-1,2'-quinazolin]-4'(3'H)-one
SpectraBase Compound ID 5BnjisOYrCI
InChI InChI=1S/C31H49N3O/c35-30-28-23-17-18-24-29(28)32-31(25-19-13-9-5-2-6-10-14-20-26-31)34(30)33-27-21-15-11-7-3-1-4-8-12-16-22-27/h17-18,23-24,32H,1-16,19-22,25-26H2
InChIKey NFGIYCGKDHGXLI-UHFFFAOYSA-N
Mol Weight 479.8 g/mol
Molecular Formula C31H49N3O
Exact Mass 479.387563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gh8npqFV0Ad
Name 3'-(Cyclododecylideneamino)-1'H-spiro[cyclododecane-1,2'-quinazolin]-4'(3'H)-one
Comments Computed using HOSE algorithm
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Exact Mass 479.387563209 u
Formula C31H49N3O
InChI InChI=1S/C31H49N3O/c35-30-28-23-17-18-24-29(28)32-31(25-19-13-9-5-2-6-10-14-20-26-31)34(30)33-27-21-15-11-7-3-1-4-8-12-16-22-27/h17-18,23-24,32H,1-16,19-22,25-26H2
InChIKey NFGIYCGKDHGXLI-UHFFFAOYSA-N
Molecular Weight 479.753 g/mol
SMILES N1C2=CC=CC=C2C(N(C11CCCCCCCCCCC1)N=C1CCCCCCCCCCC1)=O